1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene

C22H34 — CID 59622509

IUPAC1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=CCC1CC(C(CC)(CC)C2CCCC2)C2C=CC=CC12
InChIInChI=1S/C22H34/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/h4,9-10,14-15,17-21H,1,5-8,11-13,16H2,2-3H3
InChIKeyAWIAAONGHTWWMU-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.55
Rot. Bonds6

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

1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 59622509) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID59622509
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=CCC1CC(C(CC)(CC)C2CCCC2)C2C=CC=CC12
InChIInChI=1S/C22H34/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/h4,9-10,14-15,17-21H,1,5-8,11-13,16H2,2-3H3
InChIKeyAWIAAONGHTWWMU-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene with MolForge

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Related Compounds

1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91170304
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
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
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)
CID 162291629
cyclopentyl-diphenyl-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 58049466
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
1-butyl-3-(2-cyclopentylethyl)-2,3,3a,7a-tetrahydro-1H-indene
CID 162270743
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 148825764
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
N-[(2-prop-2-enylcyclopentyl)methyl]ethanamine
CID 81034432

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene (CID 59622509) is 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene is C=CCC1CC(C(CC)(CC)C2CCCC2)C2C=CC=CC12.
What is the InChIKey of 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is AWIAAONGHTWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/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/h4,9-10,14-15,17-21H,1,5-8,11-13,16H2,2-3H3.
What are the key properties of 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?
1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 298.51 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 59622509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).