4-chloro-2,2-dimethylhex-3-ene

C8H15Cl — CID 71390179

IUPAC4-chloro-2,2-dimethylhex-3-ene
SMILESCCC(Cl)=CC(C)(C)C
InChIInChI=1S/C8H15Cl/c1-5-7(9)6-8(2,3)4/h6H,5H2,1-4H3
InChIKeyVSWBEEAZZMLWGA-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.57
Rot. Bonds1

About 4-chloro-2,2-dimethylhex-3-ene

4-chloro-2,2-dimethylhex-3-ene (PubChem CID 71390179) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 4-chloro-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name4-chloro-2,2-dimethylhex-3-ene
PubChem CID71390179
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name4-chloro-2,2-dimethylhex-3-ene
SMILESCCC(Cl)=CC(C)(C)C
InChIInChI=1S/C8H15Cl/c1-5-7(9)6-8(2,3)4/h6H,5H2,1-4H3
InChIKeyVSWBEEAZZMLWGA-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-2,2-dimethylhex-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2,2,4-trimethylhex-3-ene
CID 5365974
chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury
CID 134981739
2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
CID 173041848
(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)
CID 134995385
ethyl (Z)-2-chloro-4,4-dimethylpent-2-enoate
CID 145266780
(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine
CID 147216675
(Z)-1-bromo-3-chloropent-2-ene
CID 131863334
4-chloro-2-methylhex-3-ene
CID 91176193
(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol
CID 163953461
2-(2,2-dimethylpropylidene)propanedioic acid
CID 58916017
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
2,4,4-trimethylpent-2-en-1-amine
CID 79330157

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2-dimethylhex-3-ene?
The IUPAC name of 4-chloro-2,2-dimethylhex-3-ene (CID 71390179) is 4-chloro-2,2-dimethylhex-3-ene.
What is the SMILES notation for 4-chloro-2,2-dimethylhex-3-ene?
The canonical SMILES for 4-chloro-2,2-dimethylhex-3-ene is CCC(Cl)=CC(C)(C)C.
What is the InChIKey of 4-chloro-2,2-dimethylhex-3-ene?
The InChIKey is VSWBEEAZZMLWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-5-7(9)6-8(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4-chloro-2,2-dimethylhex-3-ene?
4-chloro-2,2-dimethylhex-3-ene has a molecular weight of 146.66 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2-dimethylhex-3-ene is sourced from PubChem (CID 71390179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).