1-chloro-4,6-dimethylhept-3-ene

C9H17Cl — CID 79603963

IUPAC1-chloro-4,6-dimethylhept-3-ene
SMILESCC(=CCCCl)CC(C)C
InChIInChI=1S/C9H17Cl/c1-8(2)7-9(3)5-4-6-10/h5,8H,4,6-7H2,1-3H3
InChIKeyISKVPMWZDPDSOU-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.61
Rot. Bonds4

About 1-chloro-4,6-dimethylhept-3-ene

1-chloro-4,6-dimethylhept-3-ene (PubChem CID 79603963) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 1-chloro-4,6-dimethylhept-3-ene.

Molecular Properties

Compound Name1-chloro-4,6-dimethylhept-3-ene
PubChem CID79603963
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name1-chloro-4,6-dimethylhept-3-ene
SMILESCC(=CCCCl)CC(C)C
InChIInChI=1S/C9H17Cl/c1-8(2)7-9(3)5-4-6-10/h5,8H,4,6-7H2,1-3H3
InChIKeyISKVPMWZDPDSOU-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethylhept-3-en-1-amine
CID 76997294
5,7-dimethyloct-4-enal
CID 154103325
1-chloro-4,8-dimethylnon-3-ene
CID 83163373
(Z)-N,N,4,6-tetramethylhept-3-en-1-amine
CID 163544374
(E)-5-chloro-2-methylpent-2-en-1-ol
CID 11094667
(E)-3,5-dimethylhex-2-en-1-ol
CID 13415310
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(5-chloro-2-methylpent-2-enyl)cyclopropane
CID 79604228
(E)-1-iodo-2,4-dimethylpent-1-ene
CID 58173205
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,6-dimethylhept-3-ene?
The IUPAC name of 1-chloro-4,6-dimethylhept-3-ene (CID 79603963) is 1-chloro-4,6-dimethylhept-3-ene.
What is the SMILES notation for 1-chloro-4,6-dimethylhept-3-ene?
The canonical SMILES for 1-chloro-4,6-dimethylhept-3-ene is CC(=CCCCl)CC(C)C.
What is the InChIKey of 1-chloro-4,6-dimethylhept-3-ene?
The InChIKey is ISKVPMWZDPDSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-8(2)7-9(3)5-4-6-10/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-chloro-4,6-dimethylhept-3-ene?
1-chloro-4,6-dimethylhept-3-ene has a molecular weight of 160.69 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,6-dimethylhept-3-ene is sourced from PubChem (CID 79603963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).