(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one

C27H34O — CID 97304313

IUPAC(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one
SMILESCc1cc(C)cc([C@@H](CC(=O)C[C@@H](c2cc(C)cc(C)c2)C2CC2)C2CC2)c1
InChIInChI=1S/C27H34O/c1-17-9-18(2)12-23(11-17)26(21-5-6-21)15-25(28)16-27(22-7-8-22)24-13-19(3)10-20(4)14-24/h9-14,21-22,26-27H,5-8,15-16H2,1-4H3/t26-,27+
InChIKeyDNGXDUAKPKWTPS-MKPDMIMOSA-N
MW374.57 g/mol
LogP6.96
Rot. Bonds8

About (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one

(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one (PubChem CID 97304313) has the molecular formula C27H34O and a molecular weight of 374.57 g/mol. Its IUPAC name is (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one.

Molecular Properties

Compound Name(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one
PubChem CID97304313
Molecular FormulaC27H34O
Molecular Weight374.57 g/mol
Exact Mass374.26
IUPAC Name(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one
SMILESCc1cc(C)cc([C@@H](CC(=O)C[C@@H](c2cc(C)cc(C)c2)C2CC2)C2CC2)c1
InChIInChI=1S/C27H34O/c1-17-9-18(2)12-23(11-17)26(21-5-6-21)15-25(28)16-27(22-7-8-22)24-13-19(3)10-20(4)14-24/h9-14,21-22,26-27H,5-8,15-16H2,1-4H3/t26-,27+
InChIKeyDNGXDUAKPKWTPS-MKPDMIMOSA-N
XLogP6.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
(1R,5R)-1,5-di(cyclobutyl)-1,5-bis(3,4,5-trifluorophenyl)pentan-3-one
CID 97304173
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304157
(1S,5S)-1,5-dicyclopropyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304291
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808
(1R,5R)-1,5-dicyclohexyl-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304203
3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride
CID 19938397

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one?
The IUPAC name of (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one (CID 97304313) is (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one.
What is the SMILES notation for (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one?
The canonical SMILES for (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one is Cc1cc(C)cc([C@@H](CC(=O)C[C@@H](c2cc(C)cc(C)c2)C2CC2)C2CC2)c1.
What is the InChIKey of (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one?
The InChIKey is DNGXDUAKPKWTPS-MKPDMIMOSA-N. The full InChI is InChI=1S/C27H34O/c1-17-9-18(2)12-23(11-17)26(21-5-6-21)15-25(28)16-27(22-7-8-22)24-13-19(3)10-20(4)14-24/h9-14,21-22,26-27H,5-8,15-16H2,1-4H3/t26-,27+.
What are the key properties of (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one?
(1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one has a molecular weight of 374.57 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,5-dicyclopropyl-1,5-bis(3,5-dimethylphenyl)pentan-3-one is sourced from PubChem (CID 97304313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).