2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene

C32H36 — CID 170526583

IUPAC2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
SMILESC=C(CCC1=CC2C=C(CCCC3CCCC3)C=CC2=C1)C1=CC(=C)C2C=CC=CC2=C1
InChIInChI=1S/C32H36/c1-23(30-18-24(2)32-13-6-5-12-29(32)22-30)14-15-27-20-28-17-16-26(19-31(28)21-27)11-7-10-25-8-3-4-9-25/h5-6,12-13,16-22,25,31-32H,1-4,7-11,14-15H2
InChIKeyQZKFONGARMEEFJ-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.83
Rot. Bonds8

About 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene

2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene (PubChem CID 170526583) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene.

Molecular Properties

Compound Name2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
PubChem CID170526583
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
SMILESC=C(CCC1=CC2C=C(CCCC3CCCC3)C=CC2=C1)C1=CC(=C)C2C=CC=CC2=C1
InChIInChI=1S/C32H36/c1-23(30-18-24(2)32-13-6-5-12-29(32)22-30)14-15-27-20-28-17-16-26(19-31(28)21-27)11-7-10-25-8-3-4-9-25/h5-6,12-13,16-22,25,31-32H,1-4,7-11,14-15H2
InChIKeyQZKFONGARMEEFJ-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[5-[(3,3-dimethylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
CID 170526550
3-[4-[5-(3-cyclohexylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-6,7,8,8a-tetrahydro-5H-naphthalen-1-one
CID 170391567
4-[[2-[3-(4-methylidene-4aH-naphthalen-2-yl)-3-oxopropyl]-3aH-inden-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 170392432
3-[5-[(2,2-dihydroxycyclopentyl)methoxymethyl]-3aH-inden-2-yl]-1-(4-methylidene-4aH-naphthalen-2-yl)propan-1-one
CID 170392392
2-[4-[5-[2-(4,4-dimethylcyclohexyl)ethyl]-3aH-inden-2-yl]butan-2-yl]-4-methylidene-4aH-naphthalene
CID 170526582
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
CID 176529830
2-ethyl-3aH-indene
CID 23399067
2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
CID 173243357
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 144816897
5-(5-cyclopentylpentyl)cyclohexa-1,3-diene
CID 142426678
5-chlorohex-5-enylcyclohexane
CID 174971012

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
The IUPAC name of 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene (CID 170526583) is 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene.
What is the SMILES notation for 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
The canonical SMILES for 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene is C=C(CCC1=CC2C=C(CCCC3CCCC3)C=CC2=C1)C1=CC(=C)C2C=CC=CC2=C1.
What is the InChIKey of 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
The InChIKey is QZKFONGARMEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36/c1-23(30-18-24(2)32-13-6-5-12-29(32)22-30)14-15-27-20-28-17-16-26(19-31(28)21-27)11-7-10-25-8-3-4-9-25/h5-6,12-13,16-22,25,31-32H,1-4,7-11,14-15H2.
What are the key properties of 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene has a molecular weight of 420.64 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 2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene is sourced from PubChem (CID 170526583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).