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

C32H36 — CID 170526531

IUPAC2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
SMILESC=C(CCC1=CC2C=C(CC3CCCC(C)C3)C=CC2=C1)C1=CC(=C)C2C=CC=CC2=C1
InChIInChI=1S/C32H36/c1-22-7-6-8-25(15-22)17-26-13-14-28-18-27(20-31(28)19-26)12-11-23(2)30-16-24(3)32-10-5-4-9-29(32)21-30/h4-5,9-10,13-14,16,18-22,25,31-32H,2-3,6-8,11-12,15,17H2,1H3
InChIKeyZCJPUKBCXBPEKN-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.68
Rot. Bonds6

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

2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene (PubChem CID 170526531) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene.

Molecular Properties

Compound Name2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
PubChem CID170526531
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
SMILESC=C(CCC1=CC2C=C(CC3CCCC(C)C3)C=CC2=C1)C1=CC(=C)C2C=CC=CC2=C1
InChIInChI=1S/C32H36/c1-22-7-6-8-25(15-22)17-26-13-14-28-18-27(20-31(28)19-26)12-11-23(2)30-16-24(3)32-10-5-4-9-29(32)21-30/h4-5,9-10,13-14,16,18-22,25,31-32H,2-3,6-8,11-12,15,17H2,1H3
InChIKeyZCJPUKBCXBPEKN-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
CID 170526583
4-[[2-[3-(4-methylidene-4aH-naphthalen-2-yl)-3-oxopropyl]-3aH-inden-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 170392432
2-[4-[5-[2-(4,4-dimethylcyclohexyl)ethyl]-3aH-inden-2-yl]butan-2-yl]-4-methylidene-4aH-naphthalene
CID 170526582
2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140802082
4-[(3-methylcyclohexyl)methoxymethyl]aniline
CID 114197020
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol
CID 162553293

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
The IUPAC name of 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene (CID 170526531) is 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene.
What is the SMILES notation for 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
The canonical SMILES for 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene is C=C(CCC1=CC2C=C(CC3CCCC(C)C3)C=CC2=C1)C1=CC(=C)C2C=CC=CC2=C1.
What is the InChIKey of 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
The InChIKey is ZCJPUKBCXBPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36/c1-22-7-6-8-25(15-22)17-26-13-14-28-18-27(20-31(28)19-26)12-11-23(2)30-16-24(3)32-10-5-4-9-29(32)21-30/h4-5,9-10,13-14,16,18-22,25,31-32H,2-3,6-8,11-12,15,17H2,1H3.
What are the key properties of 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene?
2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene has a molecular weight of 420.64 g/mol, XLogP of 8.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene is sourced from PubChem (CID 170526531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).