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

C29H48 — CID 123797885

IUPAC1-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
SMILESC=CCC1CC(C(CC)(CC)C2CC(CC=C)C3CCCCC32)C2CCCCC12
InChIInChI=1S/C29H48/c1-5-13-21-19-27(25-17-11-9-15-23(21)25)29(7-3,8-4)28-20-22(14-6-2)24-16-10-12-18-26(24)28/h5-6,21-28H,1-2,7-20H2,3-4H3
InChIKeyDFAPKMHVUFMKPB-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.83
Rot. Bonds8

About 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

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 (PubChem CID 123797885) has the molecular formula C29H48 and a molecular weight of 396.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID123797885
Molecular FormulaC29H48
Molecular Weight396.70 g/mol
Exact Mass396.38
IUPAC Name1-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
SMILESC=CCC1CC(C(CC)(CC)C2CC(CC=C)C3CCCCC32)C2CCCCC12
InChIInChI=1S/C29H48/c1-5-13-21-19-27(25-17-11-9-15-23(21)25)29(7-3,8-4)28-20-22(14-6-2)24-16-10-12-18-26(24)28/h5-6,21-28H,1-2,7-20H2,3-4H3
InChIKeyDFAPKMHVUFMKPB-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 59622509
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505
1-(3-cyclopent-2-en-1-ylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91170304
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
CID 12910257
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
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
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
cis-(1S,2R)-1-prop-1-en-2-yl-2-prop-2-enylcyclopentane
CID 11073596
N-[(2-prop-2-enylcyclopentyl)methyl]ethanamine
CID 81034432
2,4-bis(prop-2-enyl)cycloheptan-1-ol
CID 70291440
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCC1CC(C(CC)(CC)C2CC(CC=C)C3CCCCC32)C2CCCCC12.
What is the InChIKey of 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?
The InChIKey is DFAPKMHVUFMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48/c1-5-13-21-19-27(25-17-11-9-15-23(21)25)29(7-3,8-4)28-20-22(14-6-2)24-16-10-12-18-26(24)28/h5-6,21-28H,1-2,7-20H2,3-4H3.
What are the key properties of 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?
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 has a molecular weight of 396.70 g/mol, XLogP of 8.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123797885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).