(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one

C20H38O3 — CID 11034763

IUPAC(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@@H]1CCOC1=O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)18-16-17-23-20(18)22/h18-19,21H,2-17H2,1H3/t18-,19+/m0/s1
InChIKeySSAMZSUAUZSJHD-RBUKOAKNSA-N
MW326.52 g/mol
LogP5.39
Rot. Bonds15

About (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one

(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one (PubChem CID 11034763) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one
PubChem CID11034763
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@@H]1CCOC1=O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)18-16-17-23-20(18)22/h18-19,21H,2-17H2,1H3/t18-,19+/m0/s1
InChIKeySSAMZSUAUZSJHD-RBUKOAKNSA-N
XLogP5.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.39
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

2-[(3S)-2-oxooxolan-3-yl]decanamide
CID 175759702
3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
CID 11515162
(4R)-4-[(1R)-1-hydroxyhexyl]-3-methylideneoxolan-2-one
CID 162399329
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
3-(1-hydroxyheptyl)-4-(hydroxymethyl)oxolan-2-one
CID 167625763
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
(6S)-6-[(1R)-1-hydroxyheptyl]oxan-2-one
CID 102407446

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one?
The IUPAC name of (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one (CID 11034763) is (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one is CCCCCCCCCCCCCCC[C@@H](O)[C@@H]1CCOC1=O.
What is the InChIKey of (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one?
The InChIKey is SSAMZSUAUZSJHD-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)18-16-17-23-20(18)22/h18-19,21H,2-17H2,1H3/t18-,19+/m0/s1.
What are the key properties of (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one?
(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one has a molecular weight of 326.52 g/mol, XLogP of 5.39, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one is sourced from PubChem (CID 11034763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).