chempirical

Heptane-d16

C7D16CAS 33838-52-7116.30 g/mol

Open in Covalent MOL file
DDDDDDDDDDDDDDDD

Properties

Molecular formula
C7D16
Molar mass
116.30 g/mol
Exact mass
116.2256 Da
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
33838-52-7
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChIKey
IMNFDUFMRHMDMM-NEBSKJCTSA-N
InChI
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2

Weigh it out

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

Names and synonyms

1 names
  • N-Heptane-D16

Work with Heptane-d16

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Heptane142-82-5Unlabelled

Similar compounds

Hexane-d1421666-38-689 % similar Cyclohexane-D121735-17-733 % similar

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

Same formula

2,4-Dimethylpentane108-08-7 2-Methylhexane31394-54-4 Triptane464-06-2 3,3-Dimethylpentane562-49-2 2,3-Dimethylpentane565-59-3 3-Methylhexane589-34-4 2,2-Dimethylpentane590-35-2

Elsewhere

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