(E)-6-chloro-3-methylhex-2-ene

C7H13Cl — CID 21338183

IUPAC(E)-6-chloro-3-methylhex-2-ene
SMILESC/C=C(\C)CCCCl
InChIInChI=1S/C7H13Cl/c1-3-7(2)5-4-6-8/h3H,4-6H2,1-2H3/b7-3+
InChIKeyVKOSFMRFVUGSTN-XVNBXDOJSA-N
MW132.63 g/mol
LogP2.97
Rot. Bonds3

About (E)-6-chloro-3-methylhex-2-ene

(E)-6-chloro-3-methylhex-2-ene (PubChem CID 21338183) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is (E)-6-chloro-3-methylhex-2-ene.

Molecular Properties

Compound Name(E)-6-chloro-3-methylhex-2-ene
PubChem CID21338183
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name(E)-6-chloro-3-methylhex-2-ene
SMILESC/C=C(\C)CCCCl
InChIInChI=1S/C7H13Cl/c1-3-7(2)5-4-6-8/h3H,4-6H2,1-2H3/b7-3+
InChIKeyVKOSFMRFVUGSTN-XVNBXDOJSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.97
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

Geranyl chloride
CID 6372219
(E,E)-Farnesyl chloride
CID 6003397
(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
Neryl chloride
CID 5874259
cis-6-Chloro-2-hexene
CID 12466001
(3S,5S,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630816
(3S,5R,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630817
2-Chloromyrcene
CID 23247410
1-Chloro-3,7-dimethyl-octa-2,6-diene
CID 99106
Cyclohexene, 1-(chloromethyl)-
CID 11974168
1-(Chloromethyl)cyclopent-1-ene
CID 12914389
3-Chloro-1-methylcyclohex-1-ene
CID 13741597

Frequently Asked Questions

What is the IUPAC name of (E)-6-chloro-3-methylhex-2-ene?
The IUPAC name of (E)-6-chloro-3-methylhex-2-ene (CID 21338183) is (E)-6-chloro-3-methylhex-2-ene.
What is the SMILES notation for (E)-6-chloro-3-methylhex-2-ene?
The canonical SMILES for (E)-6-chloro-3-methylhex-2-ene is C/C=C(\C)CCCCl.
What is the InChIKey of (E)-6-chloro-3-methylhex-2-ene?
The InChIKey is VKOSFMRFVUGSTN-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H13Cl/c1-3-7(2)5-4-6-8/h3H,4-6H2,1-2H3/b7-3+.
What are the key properties of (E)-6-chloro-3-methylhex-2-ene?
(E)-6-chloro-3-methylhex-2-ene has a molecular weight of 132.63 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-3-methylhex-2-ene is sourced from PubChem (CID 21338183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).