1,3-dichloro-5-methylcyclohexene

C7H10Cl2 — CID 123341326

IUPAC1,3-dichloro-5-methylcyclohexene
SMILESCC1CC(Cl)=CC(Cl)C1
InChIInChI=1S/C7H10Cl2/c1-5-2-6(8)4-7(9)3-5/h4-6H,2-3H2,1H3
InChIKeyLTWARAYAJXVLRP-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.15
Rot. Bonds

About 1,3-dichloro-5-methylcyclohexene

1,3-dichloro-5-methylcyclohexene (PubChem CID 123341326) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,3-dichloro-5-methylcyclohexene.

Molecular Properties

Compound Name1,3-dichloro-5-methylcyclohexene
PubChem CID123341326
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,3-dichloro-5-methylcyclohexene
SMILESCC1CC(Cl)=CC(Cl)C1
InChIInChI=1S/C7H10Cl2/c1-5-2-6(8)4-7(9)3-5/h4-6H,2-3H2,1H3
InChIKeyLTWARAYAJXVLRP-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-5-methylcyclohexen-1-yl)-3-methylthiophene
CID 130596002
3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine
CID 130596030
4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole
CID 130596082
(3S,5R)-3-chloro-5-methylcycloheptene
CID 130778981
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
N-(3,5-dimethylcyclohexylidene)hydroxylamine
CID 580917
1,4-dichlorocyclopenta-1,2-diene
CID 57065502
1,2,3,5-tetramethylcyclohexene
CID 12751060
3,5-dichloro-6-methylcyclohex-2-ene-1-thione
CID 91374901
3,7-dimethylbicyclo[3.3.1]non-1-ene
CID 123750976
(3,5-dimethylcyclohexylidene)oxidanium
CID 140563406
2,4-dichloro-N-methylcyclohex-3-en-1-imine
CID 130256600

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-methylcyclohexene?
The IUPAC name of 1,3-dichloro-5-methylcyclohexene (CID 123341326) is 1,3-dichloro-5-methylcyclohexene.
What is the SMILES notation for 1,3-dichloro-5-methylcyclohexene?
The canonical SMILES for 1,3-dichloro-5-methylcyclohexene is CC1CC(Cl)=CC(Cl)C1.
What is the InChIKey of 1,3-dichloro-5-methylcyclohexene?
The InChIKey is LTWARAYAJXVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-5-2-6(8)4-7(9)3-5/h4-6H,2-3H2,1H3.
What are the key properties of 1,3-dichloro-5-methylcyclohexene?
1,3-dichloro-5-methylcyclohexene has a molecular weight of 165.06 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-methylcyclohexene is sourced from PubChem (CID 123341326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).