(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one

C16H30O3 — CID 162927277

IUPAC(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
SMILESCCCCCCCCCC[C@H]1C[C@H](CCO)C(=O)O1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h14-15,17H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyWTYOCFGPMRJBIX-GJZGRUSLSA-N
MW270.41 g/mol
LogP3.83
Rot. Bonds11

About (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one

(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one (PubChem CID 162927277) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
PubChem CID162927277
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
SMILESCCCCCCCCCC[C@H]1C[C@H](CCO)C(=O)O1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h14-15,17H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyWTYOCFGPMRJBIX-GJZGRUSLSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-3-heptyl-5-(iodomethyl)oxolan-2-one
CID 10990947
5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
CID 162965017
S-[[(2S,4R)-4-heptyl-5-oxooxolan-2-yl]methyl] ethanethioate
CID 11022039
3-chloro-5-octyloxolan-2-one
CID 3017732
5-hydroxy-3-undecyloxolan-2-one
CID 10199009
3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857
5-(4-hydroxybutyl)-3-(sulfanylmethyl)oxolan-2-one
CID 139617153
5-methyl-3-nonyloxolan-2-one
CID 143081065
2-oxo-5-pentyloxolane-3-carboxylic acid
CID 131751115
(5R)-3-[[4-(4-heptylphenyl)phenyl]methyl]-5-hexyloxolan-2-one
CID 11133852
[(3R,4R,6S)-3-hexyl-2-oxo-6-undecyloxan-4-yl] acetate
CID 11090576

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one (CID 162927277) is (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one is CCCCCCCCCC[C@H]1C[C@H](CCO)C(=O)O1.
What is the InChIKey of (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
The InChIKey is WTYOCFGPMRJBIX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h14-15,17H,2-13H2,1H3/t14-,15-/m0/s1.
What are the key properties of (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one has a molecular weight of 270.41 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one is sourced from PubChem (CID 162927277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).