4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene

C30H34 — CID 58046196

IUPAC4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene
SMILESC1=CC2C(C3=CCCC=C3)=CC=C(Cc3ccc(CCCC4CCCC4)cc3)C2=C1
InChIInChI=1S/C30H34/c1-2-12-26(13-3-1)29-21-20-27(28-14-7-15-30(28)29)22-25-18-16-24(17-19-25)11-6-10-23-8-4-5-9-23/h2,7,12-21,23,30H,1,3-6,8-11,22H2
InChIKeyVKWUYHBVIDAOPU-UHFFFAOYSA-N
MW394.60 g/mol
LogP8.00
Rot. Bonds7

About 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene

4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene (PubChem CID 58046196) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene
PubChem CID58046196
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene
SMILESC1=CC2C(C3=CCCC=C3)=CC=C(Cc3ccc(CCCC4CCCC4)cc3)C2=C1
InChIInChI=1S/C30H34/c1-2-12-26(13-3-1)29-21-20-27(28-14-7-15-30(28)29)22-25-18-16-24(17-19-25)11-6-10-23-8-4-5-9-23/h2,7,12-21,23,30H,1,3-6,8-11,22H2
InChIKeyVKWUYHBVIDAOPU-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-7-[[4-(4-propylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046186
2-[[4-[(7-cyclohexa-1,5-dien-1-yl-7aH-inden-4-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
CID 58046137
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene
CID 58046183
1-(10-cyclohexyldecyl)-4-iodobenzene
CID 129287266
1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene
CID 145496563
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene
CID 166650675
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
4-(4-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046266
1-(3-cyclobutylpropyl)cyclopentene
CID 147990269
4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene
CID 144669521

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene (CID 58046196) is 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene is C1=CC2C(C3=CCCC=C3)=CC=C(Cc3ccc(CCCC4CCCC4)cc3)C2=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene?
The InChIKey is VKWUYHBVIDAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34/c1-2-12-26(13-3-1)29-21-20-27(28-14-7-15-30(28)29)22-25-18-16-24(17-19-25)11-6-10-23-8-4-5-9-23/h2,7,12-21,23,30H,1,3-6,8-11,22H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene?
4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene has a molecular weight of 394.60 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene is sourced from PubChem (CID 58046196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).