3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal

C23H26O2 — CID 102275177

IUPAC3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)C(O)C1CC1C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O2/c1-22(2,15-24)21(25)19-13-18(19)20-14-23(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-21,25H,13-14H2,1-2H3
InChIKeyMEVWVVGOWKITJL-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.21
Rot. Bonds6

About 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal

3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal (PubChem CID 102275177) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal
PubChem CID102275177
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)C(O)C1CC1C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O2/c1-22(2,15-24)21(25)19-13-18(19)20-14-23(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-21,25H,13-14H2,1-2H3
InChIKeyMEVWVVGOWKITJL-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 102586283
CID 102586283
(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
CID 135015191
(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol
CID 10663839
(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride
CID 67744270
8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
CID 161072697
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoic acid
CID 14347540
4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 155725158
[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 135068975
N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid
CID 15295732
(2,2-diphenylcyclopropyl)methyl formate
CID 10610821
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
CID 175105136

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal?
The IUPAC name of 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal (CID 102275177) is 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal.
What is the SMILES notation for 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal?
The canonical SMILES for 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal is CC(C)(C=O)C(O)C1CC1C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal?
The InChIKey is MEVWVVGOWKITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-22(2,15-24)21(25)19-13-18(19)20-14-23(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-21,25H,13-14H2,1-2H3.
What are the key properties of 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal?
3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal has a molecular weight of 334.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal is sourced from PubChem (CID 102275177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).