1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane

C12H18 — CID 14688277

IUPAC1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane
SMILESCC1(C2=CC=CC2)CCCCC1
InChIInChI=1S/C12H18/c1-12(9-5-2-6-10-12)11-7-3-4-8-11/h3-4,7H,2,5-6,8-10H2,1H3
InChIKeyYIIQXPNPQDTTNU-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane

1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane (PubChem CID 14688277) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane
PubChem CID14688277
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane
SMILESCC1(C2=CC=CC2)CCCCC1
InChIInChI=1S/C12H18/c1-12(9-5-2-6-10-12)11-7-3-4-8-11/h3-4,7H,2,5-6,8-10H2,1H3
InChIKeyYIIQXPNPQDTTNU-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane (CID 14688277) is 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane is CC1(C2=CC=CC2)CCCCC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane?
The InChIKey is YIIQXPNPQDTTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-12(9-5-2-6-10-12)11-7-3-4-8-11/h3-4,7H,2,5-6,8-10H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane?
1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane has a molecular weight of 162.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-1-methylcyclohexane is sourced from PubChem (CID 14688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).