1-chloro-3-propan-2-ylcyclohexene

C9H15Cl — CID 177223430

IUPAC1-chloro-3-propan-2-ylcyclohexene
SMILESCC(C)C1C=C(Cl)CCC1
InChIInChI=1S/C9H15Cl/c1-7(2)8-4-3-5-9(10)6-8/h6-8H,3-5H2,1-2H3
InChIKeyXQWJWBAGLXYMFI-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.57
Rot. Bonds1

About 1-chloro-3-propan-2-ylcyclohexene

1-chloro-3-propan-2-ylcyclohexene (PubChem CID 177223430) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylcyclohexene
PubChem CID177223430
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name1-chloro-3-propan-2-ylcyclohexene
SMILESCC(C)C1C=C(Cl)CCC1
InChIInChI=1S/C9H15Cl/c1-7(2)8-4-3-5-9(10)6-8/h6-8H,3-5H2,1-2H3
InChIKeyXQWJWBAGLXYMFI-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylcyclohexene?
The IUPAC name of 1-chloro-3-propan-2-ylcyclohexene (CID 177223430) is 1-chloro-3-propan-2-ylcyclohexene.
What is the SMILES notation for 1-chloro-3-propan-2-ylcyclohexene?
The canonical SMILES for 1-chloro-3-propan-2-ylcyclohexene is CC(C)C1C=C(Cl)CCC1.
What is the InChIKey of 1-chloro-3-propan-2-ylcyclohexene?
The InChIKey is XQWJWBAGLXYMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-7(2)8-4-3-5-9(10)6-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-chloro-3-propan-2-ylcyclohexene?
1-chloro-3-propan-2-ylcyclohexene has a molecular weight of 158.67 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 1-chloro-3-propan-2-ylcyclohexene is sourced from PubChem (CID 177223430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).