10-Chloro-3-Decyne

CAS: 18295-64-2 · C10H17Cl

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 18295-64-2
Molecular Formula: C10H17Cl
Molecular Mass: 172.70 g/mol

Identifiers

CAS Registry Number

18295-64-2

SMILES

CCC#CCCCCCCCl

InChI Key

BQQIODGRFRSXTM-UHFFFAOYSA-N

InChI

InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2,5-10H2,1H3

Names and Synonyms

10-Chloro-3-Decyne Systematic Name
3-Decyne, 10-chloro- Synonym
10-Chloro-3-decyne Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	172.70 g/mol	CAS Common Chemistry
	172.69899999999998 g/mol	RDKit
	172.699 g/mol	RDKit
	172.696 g/mol	chempirical lib
Canonical SMILES	ClCCCCCCC#CCC	CAS Common Chemistry
InChI	InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2,5-10H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=BQQIODGRFRSXTM-UHFFFAOYSA-N	CAS Common Chemistry
Name	10-Chloro-3-decyne	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	5	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	3.589100000000003	RDKit
	3.5891	RDKit
Molar Refractivity	51.872000000000035 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.8	RDKit
Exact Mass	172.101878224 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 172.70 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Related molecules

Other compounds with formula C10H17Cl.

Geranyl Chloride CAS 5389-87-7