1-chloro-5,5-dimethylcyclohexene

C8H13Cl — CID 12668510

IUPAC1-chloro-5,5-dimethylcyclohexene
SMILESCC1(C)CCC=C(Cl)C1
InChIInChI=1S/C8H13Cl/c1-8(2)5-3-4-7(9)6-8/h4H,3,5-6H2,1-2H3
InChIKeyYAWJSHQHOZHFCI-UHFFFAOYSA-N
MW144.65 g/mol
LogP3.32
Rot. Bonds

About 1-chloro-5,5-dimethylcyclohexene

1-chloro-5,5-dimethylcyclohexene (PubChem CID 12668510) has the molecular formula C8H13Cl and a molecular weight of 144.65 g/mol. Its IUPAC name is 1-chloro-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name1-chloro-5,5-dimethylcyclohexene
PubChem CID12668510
Molecular FormulaC8H13Cl
Molecular Weight144.65 g/mol
Exact Mass144.07
IUPAC Name1-chloro-5,5-dimethylcyclohexene
SMILESCC1(C)CCC=C(Cl)C1
InChIInChI=1S/C8H13Cl/c1-8(2)5-3-4-7(9)6-8/h4H,3,5-6H2,1-2H3
InChIKeyYAWJSHQHOZHFCI-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.65
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,5-dimethylcyclohexene?
The IUPAC name of 1-chloro-5,5-dimethylcyclohexene (CID 12668510) is 1-chloro-5,5-dimethylcyclohexene.
What is the SMILES notation for 1-chloro-5,5-dimethylcyclohexene?
The canonical SMILES for 1-chloro-5,5-dimethylcyclohexene is CC1(C)CCC=C(Cl)C1.
What is the InChIKey of 1-chloro-5,5-dimethylcyclohexene?
The InChIKey is YAWJSHQHOZHFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-8(2)5-3-4-7(9)6-8/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-chloro-5,5-dimethylcyclohexene?
1-chloro-5,5-dimethylcyclohexene has a molecular weight of 144.65 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,5-dimethylcyclohexene is sourced from PubChem (CID 12668510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).