(5S)-5-henicosyloxolan-2-one

C25H48O2 — CID 10861829

IUPAC(5S)-5-henicosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-25(26)27-24/h24H,2-23H2,1H3/t24-/m0/s1
InChIKeyFLVQHDPEFVLJND-DEOSSOPVSA-N
MW380.66 g/mol
LogP8.51
Rot. Bonds20

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

(5S)-5-henicosyloxolan-2-one (PubChem CID 10861829) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is (5S)-5-henicosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-henicosyloxolan-2-one
PubChem CID10861829
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name(5S)-5-henicosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-25(26)27-24/h24H,2-23H2,1H3/t24-/m0/s1
InChIKeyFLVQHDPEFVLJND-DEOSSOPVSA-N
XLogP8.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isopropyl Myristate
CID 8042
Tricaprylin
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Gamma-Decalactone
CID 12813
Gamma-Nonalactone
CID 7710
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CID 7986
Isopropyl Palmitate
CID 8907
Gamma-undecalactone
CID 7714
Ethyl Myristate
CID 31283
Gamma-Dodecalactone
CID 16821
gamma-Octalactone
CID 7704
gamma-Heptalactone
CID 7742
Cetyl Palmitate
CID 10889

Frequently Asked Questions

What is the IUPAC name of (5S)-5-henicosyloxolan-2-one?
The IUPAC name of (5S)-5-henicosyloxolan-2-one (CID 10861829) is (5S)-5-henicosyloxolan-2-one.
What is the SMILES notation for (5S)-5-henicosyloxolan-2-one?
The canonical SMILES for (5S)-5-henicosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-henicosyloxolan-2-one?
The InChIKey is FLVQHDPEFVLJND-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-25(26)27-24/h24H,2-23H2,1H3/t24-/m0/s1.
What are the key properties of (5S)-5-henicosyloxolan-2-one?
(5S)-5-henicosyloxolan-2-one has a molecular weight of 380.66 g/mol, XLogP of 8.51, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-henicosyloxolan-2-one is sourced from PubChem (CID 10861829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).