3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde

C20H20O — CID 15357536

IUPAC3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde
SMILESCC1(C)C(C=O)C1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c1-20(2)18(19(20)14-21)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18-19H,1-2H3
InChIKeyUYAWFKUEPFQJQH-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.59
Rot. Bonds4

About 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde

3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde (PubChem CID 15357536) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde
PubChem CID15357536
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde
SMILESCC1(C)C(C=O)C1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c1-20(2)18(19(20)14-21)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18-19H,1-2H3
InChIKeyUYAWFKUEPFQJQH-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 57302576
1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone
CID 11393425
trans-(1S,3S)-3-[(Z)-2-bromo-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 101202884
dimethyl 3-(2,2-diphenylethenyl)-2,2-diphenylcyclopropane-1,1-dicarboxylate
CID 12722356
3-(2,2-diphenylethenyl)-4-methyloxolane
CID 11414404
N-cyclohexylformamide;1-phenylethanone
CID 174611681
diphenylmethanone;propanal
CID 159329764
acetaldehyde;benzoic acid
CID 142179743
(2-formylphenyl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 102428242
(1R,5S)-3-(2,2-diphenylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
CID 66604762
(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol
CID 10369362
trans-ethyl (1R,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 12881554

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
The IUPAC name of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde (CID 15357536) is 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
The canonical SMILES for 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde is CC1(C)C(C=O)C1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
The InChIKey is UYAWFKUEPFQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-20(2)18(19(20)14-21)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18-19H,1-2H3.
What are the key properties of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde has a molecular weight of 276.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 15357536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).