6-chloro-2,6-dimethylhept-1-ene

C9H17Cl — CID 54312946

IUPAC6-chloro-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)(C)Cl
InChIInChI=1S/C9H17Cl/c1-8(2)6-5-7-9(3,4)10/h1,5-7H2,2-4H3
InChIKeySJRIJNUPEBQZCO-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds4

About 6-chloro-2,6-dimethylhept-1-ene

6-chloro-2,6-dimethylhept-1-ene (PubChem CID 54312946) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 6-chloro-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name6-chloro-2,6-dimethylhept-1-ene
PubChem CID54312946
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name6-chloro-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)(C)Cl
InChIInChI=1S/C9H17Cl/c1-8(2)6-5-7-9(3,4)10/h1,5-7H2,2-4H3
InChIKeySJRIJNUPEBQZCO-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,6-dimethylhept-1-ene?
The IUPAC name of 6-chloro-2,6-dimethylhept-1-ene (CID 54312946) is 6-chloro-2,6-dimethylhept-1-ene.
What is the SMILES notation for 6-chloro-2,6-dimethylhept-1-ene?
The canonical SMILES for 6-chloro-2,6-dimethylhept-1-ene is C=C(C)CCCC(C)(C)Cl.
What is the InChIKey of 6-chloro-2,6-dimethylhept-1-ene?
The InChIKey is SJRIJNUPEBQZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-8(2)6-5-7-9(3,4)10/h1,5-7H2,2-4H3.
What are the key properties of 6-chloro-2,6-dimethylhept-1-ene?
6-chloro-2,6-dimethylhept-1-ene has a molecular weight of 160.69 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,6-dimethylhept-1-ene is sourced from PubChem (CID 54312946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).