[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene

C25H30 — CID 140630416

IUPAC[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene
SMILESCC(C)C1=C(C(c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1
InChIInChI=1S/C25H30/c1-19(2)22-17-12-18-23(22)25(24(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-17,19H,18H2,1-5H3
InChIKeyYMTDZHURNLJIBV-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.93
Rot. Bonds4

About [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene

[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene (PubChem CID 140630416) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene.

Molecular Properties

Compound Name[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene
PubChem CID140630416
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene
SMILESCC(C)C1=C(C(c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1
InChIInChI=1S/C25H30/c1-19(2)22-17-12-18-23(22)25(24(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-17,19H,18H2,1-5H3
InChIKeyYMTDZHURNLJIBV-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
CID 162197471
bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
CID 174160021
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
CID 102207082
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140629994
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene
CID 140630199
1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene
CID 135291592
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene?
The IUPAC name of [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene (CID 140630416) is [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene.
What is the SMILES notation for [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene?
The canonical SMILES for [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene is CC(C)C1=C(C(c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1.
What is the InChIKey of [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene?
The InChIKey is YMTDZHURNLJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-19(2)22-17-12-18-23(22)25(24(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-17,19H,18H2,1-5H3.
What are the key properties of [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene?
[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene has a molecular weight of 330.52 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene is sourced from PubChem (CID 140630416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).