(5S)-5-tetradecanoyloxolan-2-one

C18H32O3 — CID 124511367

IUPAC(5S)-5-tetradecanoyloxolan-2-one
SMILESCCCCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18(20)21-17/h17H,2-15H2,1H3/t17-/m0/s1
InChIKeyAZYWJWTUDZBNAU-KRWDZBQOSA-N
MW296.45 g/mol
LogP4.96
Rot. Bonds13

About (5S)-5-tetradecanoyloxolan-2-one

(5S)-5-tetradecanoyloxolan-2-one (PubChem CID 124511367) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (5S)-5-tetradecanoyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-tetradecanoyloxolan-2-one
PubChem CID124511367
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(5S)-5-tetradecanoyloxolan-2-one
SMILESCCCCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18(20)21-17/h17H,2-15H2,1H3/t17-/m0/s1
InChIKeyAZYWJWTUDZBNAU-KRWDZBQOSA-N
XLogP4.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

gamma-OCTADECALACTONE
CID 10396
5-Henicosyldihydrofuran-2(3H)-one
CID 85292662
5-Docosyldihydrofuran-2(3H)-one
CID 85358949
2(3H)-Furanone, dihydro-5-tridecyl-
CID 526788
Hexacosan-4-olide
CID 10992904
(5S)-5-icosyloxolan-2-one
CID 11143096
Rhizobialide
CID 49818210
(5S)-5-henicosyloxolan-2-one
CID 10861829
(5S)-5-tricosyloxolan-2-one
CID 10982443
(5S)-5-hexacosyloxolan-2-one
CID 10983249
(5S)-5-tetracosyloxolan-2-one
CID 11048118
(5S)-5-pentacosyloxolan-2-one
CID 11102176

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tetradecanoyloxolan-2-one?
The IUPAC name of (5S)-5-tetradecanoyloxolan-2-one (CID 124511367) is (5S)-5-tetradecanoyloxolan-2-one.
What is the SMILES notation for (5S)-5-tetradecanoyloxolan-2-one?
The canonical SMILES for (5S)-5-tetradecanoyloxolan-2-one is CCCCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-tetradecanoyloxolan-2-one?
The InChIKey is AZYWJWTUDZBNAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18(20)21-17/h17H,2-15H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-5-tetradecanoyloxolan-2-one?
(5S)-5-tetradecanoyloxolan-2-one has a molecular weight of 296.45 g/mol, XLogP of 4.96, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tetradecanoyloxolan-2-one is sourced from PubChem (CID 124511367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).