[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene

C24H28 — CID 140630199

IUPAC[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene
SMILESCC1=C(C)CC(C(c2ccccc2)(c2ccccc2)C(C)(C)C)=C1
InChIInChI=1S/C24H28/c1-18-16-22(17-19(18)2)24(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16H,17H2,1-5H3
InChIKeyPEHFCXQAEDYJOK-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.69
Rot. Bonds3

About [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene

[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene (PubChem CID 140630199) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene.

Molecular Properties

Compound Name[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene
PubChem CID140630199
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene
SMILESCC1=C(C)CC(C(c2ccccc2)(c2ccccc2)C(C)(C)C)=C1
InChIInChI=1S/C24H28/c1-18-16-22(17-19(18)2)24(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16H,17H2,1-5H3
InChIKeyPEHFCXQAEDYJOK-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Cumene
CID 7406
Pentylbenzene
CID 10864
Tert-Butylbenzene
CID 7366
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390
p-Terphenyl
CID 7115
trans-Stilbene
CID 638088
4-Methylbiphenyl
CID 12566
Curcumene
CID 92139
O-Terphenyl
CID 6766
Diphenylmethane
CID 7580

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene?
The IUPAC name of [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene (CID 140630199) is [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene.
What is the SMILES notation for [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene?
The canonical SMILES for [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene is CC1=C(C)CC(C(c2ccccc2)(c2ccccc2)C(C)(C)C)=C1.
What is the InChIKey of [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene?
The InChIKey is PEHFCXQAEDYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-18-16-22(17-19(18)2)24(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16H,17H2,1-5H3.
What are the key properties of [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene?
[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene has a molecular weight of 316.49 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene is sourced from PubChem (CID 140630199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).