(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one

C29H38O3 — CID 97304257

IUPAC(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
SMILESCOc1ccccc1[C@H](CC(=O)C[C@@H](c1ccccc1OC)C1CCCC1)C1CCCC1
InChIInChI=1S/C29H38O3/c1-31-28-17-9-7-15-24(28)26(21-11-3-4-12-21)19-23(30)20-27(22-13-5-6-14-22)25-16-8-10-18-29(25)32-2/h7-10,15-18,21-22,26-27H,3-6,11-14,19-20H2,1-2H3/t26-,27-/m1/s1
InChIKeyGCLDWGUPLBQBCO-KAYWLYCHSA-N
MW434.62 g/mol
LogP7.30
Rot. Bonds10

About (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one

(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one (PubChem CID 97304257) has the molecular formula C29H38O3 and a molecular weight of 434.62 g/mol. Its IUPAC name is (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
PubChem CID97304257
Molecular FormulaC29H38O3
Molecular Weight434.62 g/mol
Exact Mass434.28
IUPAC Name(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
SMILESCOc1ccccc1[C@H](CC(=O)C[C@@H](c1ccccc1OC)C1CCCC1)C1CCCC1
InChIInChI=1S/C29H38O3/c1-31-28-17-9-7-15-24(28)26(21-11-3-4-12-21)19-23(30)20-27(22-13-5-6-14-22)25-16-8-10-18-29(25)32-2/h7-10,15-18,21-22,26-27H,3-6,11-14,19-20H2,1-2H3/t26-,27-/m1/s1
InChIKeyGCLDWGUPLBQBCO-KAYWLYCHSA-N
XLogP7.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011538
(1R,5S)-1,5-dicyclopentyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304244
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
(1S,5S)-1,5-dicyclopropyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304291
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
The IUPAC name of (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one (CID 97304257) is (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one.
What is the SMILES notation for (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
The canonical SMILES for (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one is COc1ccccc1[C@H](CC(=O)C[C@@H](c1ccccc1OC)C1CCCC1)C1CCCC1.
What is the InChIKey of (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
The InChIKey is GCLDWGUPLBQBCO-KAYWLYCHSA-N. The full InChI is InChI=1S/C29H38O3/c1-31-28-17-9-7-15-24(28)26(21-11-3-4-12-21)19-23(30)20-27(22-13-5-6-14-22)25-16-8-10-18-29(25)32-2/h7-10,15-18,21-22,26-27H,3-6,11-14,19-20H2,1-2H3/t26-,27-/m1/s1.
What are the key properties of (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one has a molecular weight of 434.62 g/mol, XLogP of 7.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one is sourced from PubChem (CID 97304257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).