7-chloro-2-methylhept-2-ene

C8H15Cl — CID 165442430

IUPAC7-chloro-2-methylhept-2-ene
SMILESCC(C)=CCCCCCl
InChIInChI=1S/C8H15Cl/c1-8(2)6-4-3-5-7-9/h6H,3-5,7H2,1-2H3
InChIKeyQBCGAWBZEXOATP-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.36
Rot. Bonds4

About 7-chloro-2-methylhept-2-ene

7-chloro-2-methylhept-2-ene (PubChem CID 165442430) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 7-chloro-2-methylhept-2-ene.

Molecular Properties

Compound Name7-chloro-2-methylhept-2-ene
PubChem CID165442430
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name7-chloro-2-methylhept-2-ene
SMILESCC(C)=CCCCCCl
InChIInChI=1S/C8H15Cl/c1-8(2)6-4-3-5-7-9/h6H,3-5,7H2,1-2H3
InChIKeyQBCGAWBZEXOATP-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-chloro-2-methylhept-2-ene?
The IUPAC name of 7-chloro-2-methylhept-2-ene (CID 165442430) is 7-chloro-2-methylhept-2-ene.
What is the SMILES notation for 7-chloro-2-methylhept-2-ene?
The canonical SMILES for 7-chloro-2-methylhept-2-ene is CC(C)=CCCCCCl.
What is the InChIKey of 7-chloro-2-methylhept-2-ene?
The InChIKey is QBCGAWBZEXOATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-8(2)6-4-3-5-7-9/h6H,3-5,7H2,1-2H3.
What are the key properties of 7-chloro-2-methylhept-2-ene?
7-chloro-2-methylhept-2-ene has a molecular weight of 146.66 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methylhept-2-ene is sourced from PubChem (CID 165442430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).