1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone

C24H30O3 — CID 135069380

IUPAC1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C24H30O3/c1-19-13-24(14-23(19)20(2)25,17-26-15-21-9-5-3-6-10-21)18-27-16-22-11-7-4-8-12-22/h3-12,19,23H,13-18H2,1-2H3/t19-,23-/m0/s1
InChIKeyFORAGUDPSVFIRP-CVDCTZTESA-N
MW366.50 g/mol
LogP5.04
Rot. Bonds9

About 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone

1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone (PubChem CID 135069380) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone
PubChem CID135069380
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C24H30O3/c1-19-13-24(14-23(19)20(2)25,17-26-15-21-9-5-3-6-10-21)18-27-16-22-11-7-4-8-12-22/h3-12,19,23H,13-18H2,1-2H3/t19-,23-/m0/s1
InChIKeyFORAGUDPSVFIRP-CVDCTZTESA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Einecs 278-650-1
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4,4-Dimethyl-6,6-diphenyloxan-2-one
CID 680247
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CID 177853173
3-methyl-2,6-diphenyltetrahydro-4H-pyran-4-one
CID 2833506
(4aS,5S)-4a-methyl-5-phenylmethoxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
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CID 10539288

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone (CID 135069380) is 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone is CC(=O)[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1C.
What is the InChIKey of 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone?
The InChIKey is FORAGUDPSVFIRP-CVDCTZTESA-N. The full InChI is InChI=1S/C24H30O3/c1-19-13-24(14-23(19)20(2)25,17-26-15-21-9-5-3-6-10-21)18-27-16-22-11-7-4-8-12-22/h3-12,19,23H,13-18H2,1-2H3/t19-,23-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone?
1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone has a molecular weight of 366.50 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]ethanone is sourced from PubChem (CID 135069380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).