5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene

C28H32 — CID 159096324

IUPAC5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene
SMILESCc1cc(C2=CCC(c3ccc4c(c3)C=CC4C(C)C)=C2)ccc1CC(C)C
InChIInChI=1S/C28H32/c1-18(2)14-21-6-7-22(15-20(21)5)23-8-9-24(16-23)25-10-13-28-26(17-25)11-12-27(28)19(3)4/h6-8,10-13,15-19,27H,9,14H2,1-5H3
InChIKeyKCSFQFDISGIDGP-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.83
Rot. Bonds5

About 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene

5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene (PubChem CID 159096324) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene.

Molecular Properties

Compound Name5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene
PubChem CID159096324
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene
SMILESCc1cc(C2=CCC(c3ccc4c(c3)C=CC4C(C)C)=C2)ccc1CC(C)C
InChIInChI=1S/C28H32/c1-18(2)14-21-6-7-22(15-20(21)5)23-8-9-24(16-23)25-10-13-28-26(17-25)11-12-27(28)19(3)4/h6-8,10-13,15-19,27H,9,14H2,1-5H3
InChIKeyKCSFQFDISGIDGP-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-Trimethylbenzene
CID 7247
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
2,6-Diisopropylnaphthalene
CID 32241
1,2-Dimethylnaphthalene
CID 11317
1,2,3,4-Tetramethylbenzene
CID 10263
1,7-Dimethylnaphthalene
CID 11326
Retene
CID 10222
1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
1,2-Dimethyl-4-ethylbenzene
CID 13629

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene?
The IUPAC name of 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene (CID 159096324) is 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene.
What is the SMILES notation for 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene?
The canonical SMILES for 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene is Cc1cc(C2=CCC(c3ccc4c(c3)C=CC4C(C)C)=C2)ccc1CC(C)C.
What is the InChIKey of 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene?
The InChIKey is KCSFQFDISGIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-18(2)14-21-6-7-22(15-20(21)5)23-8-9-24(16-23)25-10-13-28-26(17-25)11-12-27(28)19(3)4/h6-8,10-13,15-19,27H,9,14H2,1-5H3.
What are the key properties of 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene?
5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene has a molecular weight of 368.56 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene is sourced from PubChem (CID 159096324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).