(5S)-5-pentacosyloxolan-2-one

C29H56O2 — CID 11102176

IUPAC(5S)-5-pentacosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27-29(30)31-28/h28H,2-27H2,1H3/t28-/m0/s1
InChIKeyBYWVQXXACNFXHT-NDEPHWFRSA-N
MW436.77 g/mol
LogP10.07
Rot. Bonds24

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

(5S)-5-pentacosyloxolan-2-one (PubChem CID 11102176) has the molecular formula C29H56O2 and a molecular weight of 436.77 g/mol. Its IUPAC name is (5S)-5-pentacosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-pentacosyloxolan-2-one
PubChem CID11102176
Molecular FormulaC29H56O2
Molecular Weight436.77 g/mol
Exact Mass436.43
IUPAC Name(5S)-5-pentacosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27-29(30)31-28/h28H,2-27H2,1H3/t28-/m0/s1
InChIKeyBYWVQXXACNFXHT-NDEPHWFRSA-N
XLogP10.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 510.07
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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-pentacosyloxolan-2-one?
The IUPAC name of (5S)-5-pentacosyloxolan-2-one (CID 11102176) is (5S)-5-pentacosyloxolan-2-one.
What is the SMILES notation for (5S)-5-pentacosyloxolan-2-one?
The canonical SMILES for (5S)-5-pentacosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-pentacosyloxolan-2-one?
The InChIKey is BYWVQXXACNFXHT-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27-29(30)31-28/h28H,2-27H2,1H3/t28-/m0/s1.
What are the key properties of (5S)-5-pentacosyloxolan-2-one?
(5S)-5-pentacosyloxolan-2-one has a molecular weight of 436.77 g/mol, XLogP of 10.07, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-pentacosyloxolan-2-one is sourced from PubChem (CID 11102176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).