5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene

C29H32 — CID 58246153

IUPAC5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CC=CC1
InChIInChI=1S/C29H32/c1-21(24-10-5-6-11-24)16-26-12-7-13-29(26)28-19-25-15-14-23(18-27(25)20-28)17-22-8-3-2-4-9-22/h5-6,10,12-15,18,20,22H,1-4,7-9,11,16-17,19H2
InChIKeyZUHKYNYPHSUGSN-UHFFFAOYSA-N
MW380.58 g/mol
LogP7.84
Rot. Bonds6

About 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene

5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene (PubChem CID 58246153) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
PubChem CID58246153
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CC=CC1
InChIInChI=1S/C29H32/c1-21(24-10-5-6-11-24)16-26-12-7-13-29(26)28-19-25-15-14-23(18-27(25)20-28)17-22-8-3-2-4-9-22/h5-6,10,12-15,18,20,22H,1-4,7-9,11,16-17,19H2
InChIKeyZUHKYNYPHSUGSN-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
The IUPAC name of 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene (CID 58246153) is 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene.
What is the SMILES notation for 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
The canonical SMILES for 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene is C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CC=CC1.
What is the InChIKey of 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
The InChIKey is ZUHKYNYPHSUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32/c1-21(24-10-5-6-11-24)16-26-12-7-13-29(26)28-19-25-15-14-23(18-27(25)20-28)17-22-8-3-2-4-9-22/h5-6,10,12-15,18,20,22H,1-4,7-9,11,16-17,19H2.
What are the key properties of 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene has a molecular weight of 380.58 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2-[5-(2-cyclopenta-1,3-dien-1-ylprop-2-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene is sourced from PubChem (CID 58246153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).