3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one

C15H26O3 — CID 20608169

IUPAC3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one
SMILESCCC1CC(CC)C(C(C)(O)C2CCOC2=O)C1
InChIInChI=1S/C15H26O3/c1-4-10-8-11(5-2)13(9-10)15(3,17)12-6-7-18-14(12)16/h10-13,17H,4-9H2,1-3H3
InChIKeyRUWLZIINOCDLOA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.76
Rot. Bonds4

About 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one

3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one (PubChem CID 20608169) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one
PubChem CID20608169
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one
SMILESCCC1CC(CC)C(C(C)(O)C2CCOC2=O)C1
InChIInChI=1S/C15H26O3/c1-4-10-8-11(5-2)13(9-10)15(3,17)12-6-7-18-14(12)16/h10-13,17H,4-9H2,1-3H3
InChIKeyRUWLZIINOCDLOA-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-1-oxa-spiro(4.4)nonane-4-carboxylic acid
CID 2772064
Virginiamycin butanolide C
CID 131000
2-Oxo-1-oxa-spiro[4.4]nonane-3,4-dicarboxylic acid diethyl ester
CID 2836711
Simplextone D
CID 71665570
(3R,4R)-3-[(1S)-1-hydroxy-4-methylpentyl]-4-(hydroxymethyl)oxolan-2-one
CID 101685673
virginiamycin butanolide A
CID 131003
(2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid
CID 184105
Phaseolinic acid
CID 13888653
Virginiaebutanolide C
CID 40565489
trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide
CID 134812
(3R,4R)-3-[(1R)-1-hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one
CID 92281471
Virginiamycin butanolide D
CID 130532

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
The IUPAC name of 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one (CID 20608169) is 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one.
What is the SMILES notation for 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
The canonical SMILES for 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one is CCC1CC(CC)C(C(C)(O)C2CCOC2=O)C1.
What is the InChIKey of 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
The InChIKey is RUWLZIINOCDLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-10-8-11(5-2)13(9-10)15(3,17)12-6-7-18-14(12)16/h10-13,17H,4-9H2,1-3H3.
What are the key properties of 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one is sourced from PubChem (CID 20608169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).