(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one

C15H26O3 — CID 14411946

IUPAC(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@H](O)CC2CCCCC2)OC1=O
InChIInChI=1S/C15H26O3/c1-10(2)12-9-14(18-15(12)17)13(16)8-11-6-4-3-5-7-11/h10-14,16H,3-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyVWTWJFIOERAIDB-MJBXVCDLSA-N
MW254.37 g/mol
LogP2.91
Rot. Bonds4

About (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one

(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one (PubChem CID 14411946) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one
PubChem CID14411946
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@H](O)CC2CCCCC2)OC1=O
InChIInChI=1S/C15H26O3/c1-10(2)12-9-14(18-15(12)17)13(16)8-11-6-4-3-5-7-11/h10-14,16H,3-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyVWTWJFIOERAIDB-MJBXVCDLSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-5-[(1R)-1-bromo-2-cycloheptylethyl]-3-propan-2-yloxolan-2-one
CID 18637728
3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
[(1S)-1-[(2S,4S)-4-butan-2-yl-5-oxooxolan-2-yl]-2-cyclohexylethyl]carbamic acid
CID 18642989
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 66645583
5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one
CID 75984396
5-methyl-3-propan-2-yloxolan-2-one
CID 29717
(3S,5S)-5-[(1S)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 10399353
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanol
CID 79087571
(3S,5S)-5-[(1S,3S)-1-azido-3-(hydroxymethyl)-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 22874084
(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
CID 10012657
2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
CID 65351028
5-oxo-4-propan-2-yloxolane-2-carbonyl chloride
CID 72800701

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one?
The IUPAC name of (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one (CID 14411946) is (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one?
The canonical SMILES for (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one is CC(C)[C@@H]1C[C@@H]([C@H](O)CC2CCCCC2)OC1=O.
What is the InChIKey of (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one?
The InChIKey is VWTWJFIOERAIDB-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H26O3/c1-10(2)12-9-14(18-15(12)17)13(16)8-11-6-4-3-5-7-11/h10-14,16H,3-9H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one?
(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 14411946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).