6-chloro-6-methylhept-1-ene

C8H15Cl — CID 12678538

IUPAC6-chloro-6-methylhept-1-ene
SMILESC=CCCCC(C)(C)Cl
InChIInChI=1S/C8H15Cl/c1-4-5-6-7-8(2,3)9/h4H,1,5-7H2,2-3H3
InChIKeyJAYGDRUWKMRMNV-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.36
Rot. Bonds4

About 6-chloro-6-methylhept-1-ene

6-chloro-6-methylhept-1-ene (PubChem CID 12678538) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 6-chloro-6-methylhept-1-ene.

Molecular Properties

Compound Name6-chloro-6-methylhept-1-ene
PubChem CID12678538
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name6-chloro-6-methylhept-1-ene
SMILESC=CCCCC(C)(C)Cl
InChIInChI=1S/C8H15Cl/c1-4-5-6-7-8(2,3)9/h4H,1,5-7H2,2-3H3
InChIKeyJAYGDRUWKMRMNV-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 6-chloro-6-methylhept-1-ene?
The IUPAC name of 6-chloro-6-methylhept-1-ene (CID 12678538) is 6-chloro-6-methylhept-1-ene.
What is the SMILES notation for 6-chloro-6-methylhept-1-ene?
The canonical SMILES for 6-chloro-6-methylhept-1-ene is C=CCCCC(C)(C)Cl.
What is the InChIKey of 6-chloro-6-methylhept-1-ene?
The InChIKey is JAYGDRUWKMRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-4-5-6-7-8(2,3)9/h4H,1,5-7H2,2-3H3.
What are the key properties of 6-chloro-6-methylhept-1-ene?
6-chloro-6-methylhept-1-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 6-chloro-6-methylhept-1-ene is sourced from PubChem (CID 12678538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).