1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene

C22H32 — CID 91170304

IUPAC1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=CCC1CC(C(CC)(CC)C2C=CCC2)C2C=CC=CC12
InChIInChI=1S/C22H32/c1-4-11-17-16-21(20-15-10-9-14-19(17)20)22(5-2,6-3)18-12-7-8-13-18/h4,7,9-10,12,14-15,17-21H,1,5-6,8,11,13,16H2,2-3H3
InChIKeyTWJGWTWPOJBRIS-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.33
Rot. Bonds6

About 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene

1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 91170304) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID91170304
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=CCC1CC(C(CC)(CC)C2C=CCC2)C2C=CC=CC12
InChIInChI=1S/C22H32/c1-4-11-17-16-21(20-15-10-9-14-19(17)20)22(5-2,6-3)18-12-7-8-13-18/h4,7,9-10,12,14-15,17-21H,1,5-6,8,11,13,16H2,2-3H3
InChIKeyTWJGWTWPOJBRIS-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.33
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

1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 59622509
carbanide;octakis(dichlorozirconium(2+));bis(1-prop-2-enyl-3-[4-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene);bis(1-prop-2-enyl-3-[5-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)nonan-5-yl]-2,3,3a,7a-tetrahydro-1H-indene);bis(1-prop-2-enyl-3-[3-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentan-3-yl]-2,3,3a,7a-tetrahydro-1H-indene);bis(1-prop-2-enyl-3-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,7a-tetrahydro-1H-indene)
CID 162277374
1-prop-2-enyl-3-[3-(3-prop-2-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)pentan-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123797885
3-methyl-4-prop-2-enylcyclohexene
CID 174582569
3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene
CID 102026585
cyclopentyl-diphenyl-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 58049466
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 148825764
dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
CID 132553067
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
6-ethenyl-4-ethylcyclooctene
CID 123640243
3-prop-2-enylcyclododecene
CID 173111720
(1E)-3-prop-2-enylcyclododecene
CID 173111718

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene (CID 91170304) is 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene is C=CCC1CC(C(CC)(CC)C2C=CCC2)C2C=CC=CC12.
What is the InChIKey of 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is TWJGWTWPOJBRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-4-11-17-16-21(20-15-10-9-14-19(17)20)22(5-2,6-3)18-12-7-8-13-18/h4,7,9-10,12,14-15,17-21H,1,5-6,8,11,13,16H2,2-3H3.
What are the key properties of 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 296.50 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 91170304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).