(E)-6-chloro-3,4,6-trimethylhept-2-ene

C10H19Cl — CID 170848958

IUPAC(E)-6-chloro-3,4,6-trimethylhept-2-ene
SMILESC/C=C(\C)C(C)CC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-6-8(2)9(3)7-10(4,5)11/h6,9H,7H2,1-5H3/b8-6+
InChIKeyHBCDTLIFLTULPP-SOFGYWHQSA-N
MW174.72 g/mol
LogP4.00
Rot. Bonds3

About (E)-6-chloro-3,4,6-trimethylhept-2-ene

(E)-6-chloro-3,4,6-trimethylhept-2-ene (PubChem CID 170848958) has the molecular formula C10H19Cl and a molecular weight of 174.72 g/mol. Its IUPAC name is (E)-6-chloro-3,4,6-trimethylhept-2-ene.

Molecular Properties

Compound Name(E)-6-chloro-3,4,6-trimethylhept-2-ene
PubChem CID170848958
Molecular FormulaC10H19Cl
Molecular Weight174.72 g/mol
Exact Mass174.12
IUPAC Name(E)-6-chloro-3,4,6-trimethylhept-2-ene
SMILESC/C=C(\C)C(C)CC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-6-8(2)9(3)7-10(4,5)11/h6,9H,7H2,1-5H3/b8-6+
InChIKeyHBCDTLIFLTULPP-SOFGYWHQSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.72
LogP ≤ 54.00
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

2,6-Dimethyl-2-octene
CID 19974
Cyclohexene, 4-(1-chloro-1-methylethyl)-1-methyl-
CID 162397
1,6-Octadiene, 3-chloro-3,7-dimethyl-
CID 101693
Cyclohexene, 1-chloro-4-(1-chlorophenyl)-
CID 26101
(R)-2,6-Dimethyl-oct-2-ene
CID 11322496
1-Chloro-6-methylcyclohexene
CID 565192
Cyclohexene, 1-chloro-5-(1-chloroethenyl)-
CID 26102
Citronellyl chloride
CID 9815366
(s)-2,6-Dimethyl-oct-2-ene
CID 10986326
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
6-Chloro-2,6-dimethylhept-2-ene
CID 550291
(E)-3,4-Diethyl-2-hexene
CID 5365946

Frequently Asked Questions

What is the IUPAC name of (E)-6-chloro-3,4,6-trimethylhept-2-ene?
The IUPAC name of (E)-6-chloro-3,4,6-trimethylhept-2-ene (CID 170848958) is (E)-6-chloro-3,4,6-trimethylhept-2-ene.
What is the SMILES notation for (E)-6-chloro-3,4,6-trimethylhept-2-ene?
The canonical SMILES for (E)-6-chloro-3,4,6-trimethylhept-2-ene is C/C=C(\C)C(C)CC(C)(C)Cl.
What is the InChIKey of (E)-6-chloro-3,4,6-trimethylhept-2-ene?
The InChIKey is HBCDTLIFLTULPP-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19Cl/c1-6-8(2)9(3)7-10(4,5)11/h6,9H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-6-chloro-3,4,6-trimethylhept-2-ene?
(E)-6-chloro-3,4,6-trimethylhept-2-ene has a molecular weight of 174.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-3,4,6-trimethylhept-2-ene is sourced from PubChem (CID 170848958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).