(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one

C29H38O — CID 97304287

IUPAC(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
SMILESCc1ccc([C@H](CC(=O)C[C@@H](c2ccc(C)cc2)C2CCCC2)C2CCCC2)cc1
InChIInChI=1S/C29H38O/c1-21-11-15-25(16-12-21)28(23-7-3-4-8-23)19-27(30)20-29(24-9-5-6-10-24)26-17-13-22(2)14-18-26/h11-18,23-24,28-29H,3-10,19-20H2,1-2H3/t28-,29-/m1/s1
InChIKeyOXHGPTCLROQEQD-FQLXRVMXSA-N
MW402.62 g/mol
LogP7.90
Rot. Bonds8

About (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one

(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one (PubChem CID 97304287) has the molecular formula C29H38O and a molecular weight of 402.62 g/mol. Its IUPAC name is (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
PubChem CID97304287
Molecular FormulaC29H38O
Molecular Weight402.62 g/mol
Exact Mass402.29
IUPAC Name(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
SMILESCc1ccc([C@H](CC(=O)C[C@@H](c2ccc(C)cc2)C2CCCC2)C2CCCC2)cc1
InChIInChI=1S/C29H38O/c1-21-11-15-25(16-12-21)28(23-7-3-4-8-23)19-27(30)20-29(24-9-5-6-10-24)26-17-13-22(2)14-18-26/h11-18,23-24,28-29H,3-10,19-20H2,1-2H3/t28-,29-/m1/s1
InChIKeyOXHGPTCLROQEQD-FQLXRVMXSA-N
XLogP7.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
(1R,5R)-1,5-dicyclohexyl-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304203
(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one
CID 97304313
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304157
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one?
The IUPAC name of (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one (CID 97304287) is (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one.
What is the SMILES notation for (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one?
The canonical SMILES for (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one is Cc1ccc([C@H](CC(=O)C[C@@H](c2ccc(C)cc2)C2CCCC2)C2CCCC2)cc1.
What is the InChIKey of (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one?
The InChIKey is OXHGPTCLROQEQD-FQLXRVMXSA-N. The full InChI is InChI=1S/C29H38O/c1-21-11-15-25(16-12-21)28(23-7-3-4-8-23)19-27(30)20-29(24-9-5-6-10-24)26-17-13-22(2)14-18-26/h11-18,23-24,28-29H,3-10,19-20H2,1-2H3/t28-,29-/m1/s1.
What are the key properties of (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one?
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one has a molecular weight of 402.62 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one is sourced from PubChem (CID 97304287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).