6,6-dichloro-5,5-dimethylhex-1-ene

C8H14Cl2 — CID 10375046

IUPAC6,6-dichloro-5,5-dimethylhex-1-ene
SMILESC=CCCC(C)(C)C(Cl)Cl
InChIInChI=1S/C8H14Cl2/c1-4-5-6-8(2,3)7(9)10/h4,7H,1,5-6H2,2-3H3
InChIKeyAVXDKGHNOWCLQO-UHFFFAOYSA-N
MW181.11 g/mol
LogP3.78
Rot. Bonds4

About 6,6-dichloro-5,5-dimethylhex-1-ene

6,6-dichloro-5,5-dimethylhex-1-ene (PubChem CID 10375046) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 6,6-dichloro-5,5-dimethylhex-1-ene.

Molecular Properties

Compound Name6,6-dichloro-5,5-dimethylhex-1-ene
PubChem CID10375046
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name6,6-dichloro-5,5-dimethylhex-1-ene
SMILESC=CCCC(C)(C)C(Cl)Cl
InChIInChI=1S/C8H14Cl2/c1-4-5-6-8(2,3)7(9)10/h4,7H,1,5-6H2,2-3H3
InChIKeyAVXDKGHNOWCLQO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.78
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'}

Analyze 6,6-dichloro-5,5-dimethylhex-1-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

2-methylhex-5-en-2-amine;hydrobromide
CID 173131592
(3-chloro-2-methylhept-6-en-2-yl)silane
CID 173227079
tert-butyl(2-chlorohex-5-en-2-yl)diazene
CID 21454768
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
CID 175585299
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
3,3,5,5-tetramethylnona-1,8-diene
CID 91102311
2,6-dimethyldec-9-en-2-ol
CID 154162071
3,3,4-trimethyloct-7-enylphosphane
CID 146646971
3,3-dimethyl-N-propan-2-ylhept-6-en-1-amine
CID 81022245
3,3-dichloro-2,2-dimethylpropan-1-amine
CID 175054384

Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-5,5-dimethylhex-1-ene?
The IUPAC name of 6,6-dichloro-5,5-dimethylhex-1-ene (CID 10375046) is 6,6-dichloro-5,5-dimethylhex-1-ene.
What is the SMILES notation for 6,6-dichloro-5,5-dimethylhex-1-ene?
The canonical SMILES for 6,6-dichloro-5,5-dimethylhex-1-ene is C=CCCC(C)(C)C(Cl)Cl.
What is the InChIKey of 6,6-dichloro-5,5-dimethylhex-1-ene?
The InChIKey is AVXDKGHNOWCLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2/c1-4-5-6-8(2,3)7(9)10/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 6,6-dichloro-5,5-dimethylhex-1-ene?
6,6-dichloro-5,5-dimethylhex-1-ene has a molecular weight of 181.11 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-5,5-dimethylhex-1-ene is sourced from PubChem (CID 10375046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).