(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one

C17H32O3 — CID 11748091

IUPAC(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
SMILESCCCCCCCCCCCC[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16+/m0/s1
InChIKeyVFLQJBVJJLGBKM-JKSUJKDBSA-N
MW284.44 g/mol
LogP4.36
Rot. Bonds12

About (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one

(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one (PubChem CID 11748091) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
PubChem CID11748091
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
SMILESCCCCCCCCCCCC[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16+/m0/s1
InChIKeyVFLQJBVJJLGBKM-JKSUJKDBSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.36
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

(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
CID 10849816
(6S)-6-[(1R)-1-hydroxyheptyl]oxan-2-one
CID 102407446
(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
CID 11099459
(5R)-5-[(Z,1R)-7-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxyhept-4-enyl]oxolan-2-one
CID 10717884
(2S,6R)-6-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
CID 101103432
(4E)-3,6,7-trihydroxy-2-(1-hydroxyhexyl)-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 23928039
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one (CID 11748091) is (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one is CCCCCCCCCCCC[C@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one?
The InChIKey is VFLQJBVJJLGBKM-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one?
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one has a molecular weight of 284.44 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one is sourced from PubChem (CID 11748091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).