1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone

C25H28O — CID 25194619

IUPAC1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone
SMILESCC(=O)C1CC(=C(c2ccccc2)c2ccccc2)C(=C(C)C)C1(C)C
InChIInChI=1S/C25H28O/c1-17(2)24-21(16-22(18(3)26)25(24,4)5)23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,16H2,1-5H3
InChIKeyRJYRYNYURASUPU-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.46
Rot. Bonds3

About 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone

1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone (PubChem CID 25194619) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone.

Molecular Properties

Compound Name1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone
PubChem CID25194619
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone
SMILESCC(=O)C1CC(=C(c2ccccc2)c2ccccc2)C(=C(C)C)C1(C)C
InChIInChI=1S/C25H28O/c1-17(2)24-21(16-22(18(3)26)25(24,4)5)23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,16H2,1-5H3
InChIKeyRJYRYNYURASUPU-UHFFFAOYSA-N
XLogP6.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethanone;hydrate;hydrochloride
CID 21258111
acetic acid;diphenylmethanone;hydrate
CID 161284686
methyl 4-benzhydrylidene-2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopentane-1-carboxylate
CID 540631
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-(2-methyl-2-phenylselanylcyclobutyl)ethanone
CID 85093402
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate
CID 101184247
N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide
CID 3729268
5-benzhydrylidene-3,3-dimethyl-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1-one
CID 629143
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
iron;1-phenylethanone
CID 70488357

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone?
The IUPAC name of 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone (CID 25194619) is 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone.
What is the SMILES notation for 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone?
The canonical SMILES for 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone is CC(=O)C1CC(=C(c2ccccc2)c2ccccc2)C(=C(C)C)C1(C)C.
What is the InChIKey of 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone?
The InChIKey is RJYRYNYURASUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-17(2)24-21(16-22(18(3)26)25(24,4)5)23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,16H2,1-5H3.
What are the key properties of 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone?
1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone has a molecular weight of 344.50 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylidene-2,2-dimethyl-3-propan-2-ylidenecyclopentyl)ethanone is sourced from PubChem (CID 25194619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).