3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene

C16H24 — CID 102026585

IUPAC3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene
SMILESCCC(CC)(C1C=CC=C1)C1C=CCCC1
InChIInChI=1S/C16H24/c1-3-16(4-2,15-12-8-9-13-15)14-10-6-5-7-11-14/h6,8-10,12-15H,3-5,7,11H2,1-2H3
InChIKeyXSHBGMQHUDUUIZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.89
Rot. Bonds4

About 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene

3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene (PubChem CID 102026585) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene.

Molecular Properties

Compound Name3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene
PubChem CID102026585
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene
SMILESCCC(CC)(C1C=CC=C1)C1C=CCCC1
InChIInChI=1S/C16H24/c1-3-16(4-2,15-12-8-9-13-15)14-10-6-5-7-11-14/h6,8-10,12-15H,3-5,7,11H2,1-2H3
InChIKeyXSHBGMQHUDUUIZ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-tert-butylcyclohexene
CID 12523764
2-cyclohex-2-en-1-yl-2-methylbutanoic acid
CID 112704157
2-cyclohex-2-en-1-yl-2-methylpentan-3-one
CID 59350174
1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91170304
2-cyclohex-2-en-1-ylpent-3-yn-2-yl 2,2-dimethylbutanoate
CID 165059831
ethyl 2,2-di(cyclohex-2-en-1-yl)-3-oxobutanoate
CID 11130042
3-(2-methylbutan-2-ylperoxy)cyclohexene
CID 151959441
5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene
CID 141460457
2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
CID 154015251
diethyl 2-cyclohex-2-en-1-yl-2-prop-2-enylpropanedioate
CID 11044167
3-(2,2-dimethylpropyl)cyclohexene
CID 19985552
CID 16658373
CID 16658373

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene?
The IUPAC name of 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene (CID 102026585) is 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene.
What is the SMILES notation for 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene?
The canonical SMILES for 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene is CCC(CC)(C1C=CC=C1)C1C=CCCC1.
What is the InChIKey of 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene?
The InChIKey is XSHBGMQHUDUUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-16(4-2,15-12-8-9-13-15)14-10-6-5-7-11-14/h6,8-10,12-15H,3-5,7,11H2,1-2H3.
What are the key properties of 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene?
3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene has a molecular weight of 216.37 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene is sourced from PubChem (CID 102026585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).