Pentamethylcyclopentadiene

C₁₀H₁₆CAS 4045-44-7136.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8395 g/mL (at 20 °C)
Boiling point: 58.3 °C (at 13.5 Torr)
logP: 3.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor98.2% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

4045-44-7

SMILES

CC1=C(C)C(C)C(C)=C1C

InChIKey

WQIQNKQYEUMPBM-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-
Cyclopentadiene, 1,2,3,4,5-pentamethyl-
1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene
1,2,3,4,5-Pentamethylcyclopentadiene
NSC 222823

Reactions

1,2,3,4,5-PENTAMETHYLCYCLOPENTADIENE (1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-)product

Work with Pentamethylcyclopentadiene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-636 % similar 3-Methyl-2,4-pentanedione815-57-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

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