1,2-dichloro-3-methylcyclohexene

C7H10Cl2 — CID 149081304

IUPAC1,2-dichloro-3-methylcyclohexene
SMILESCC1CCCC(Cl)=C1Cl
InChIInChI=1S/C7H10Cl2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3
InChIKeyQQJOIEKHTXFVMN-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.50
Rot. Bonds

About 1,2-dichloro-3-methylcyclohexene

1,2-dichloro-3-methylcyclohexene (PubChem CID 149081304) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,2-dichloro-3-methylcyclohexene.

Molecular Properties

Compound Name1,2-dichloro-3-methylcyclohexene
PubChem CID149081304
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,2-dichloro-3-methylcyclohexene
SMILESCC1CCCC(Cl)=C1Cl
InChIInChI=1S/C7H10Cl2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3
InChIKeyQQJOIEKHTXFVMN-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-methyl-2-propan-2-ylidenecyclopentane
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(2-methylcyclopentylidene)methanone
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2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
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3-methylcyclohexene-1,2-dicarbonyl chloride
CID 142725909
2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline
CID 21036673
1,2-dichlorocyclooctene
CID 56634873
1,2,3,4,5-pentamethylcycloocta-1,3-diene
CID 175510091
1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene
CID 171800450
4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
CID 12798309
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CID 154209832

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methylcyclohexene?
The IUPAC name of 1,2-dichloro-3-methylcyclohexene (CID 149081304) is 1,2-dichloro-3-methylcyclohexene.
What is the SMILES notation for 1,2-dichloro-3-methylcyclohexene?
The canonical SMILES for 1,2-dichloro-3-methylcyclohexene is CC1CCCC(Cl)=C1Cl.
What is the InChIKey of 1,2-dichloro-3-methylcyclohexene?
The InChIKey is QQJOIEKHTXFVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3.
What are the key properties of 1,2-dichloro-3-methylcyclohexene?
1,2-dichloro-3-methylcyclohexene has a molecular weight of 165.06 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methylcyclohexene is sourced from PubChem (CID 149081304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).