(5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one

C16H30O4 — CID 164619905

IUPAC(5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one
SMILESC[C@@H](O)CCCCCCCCC[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C16H30O4/c1-13(17)9-7-5-3-2-4-6-8-10-14(18)15-11-12-16(19)20-15/h13-15,17-18H,2-12H2,1H3/t13-,14+,15-/m1/s1
InChIKeyRPNKWHNJSFMHIV-QLFBSQMISA-N
MW286.41 g/mol
LogP2.94
Rot. Bonds11

About (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one

(5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one (PubChem CID 164619905) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one
PubChem CID164619905
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one
SMILESC[C@@H](O)CCCCCCCCC[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C16H30O4/c1-13(17)9-7-5-3-2-4-6-8-10-14(18)15-11-12-16(19)20-15/h13-15,17-18H,2-12H2,1H3/t13-,14+,15-/m1/s1
InChIKeyRPNKWHNJSFMHIV-QLFBSQMISA-N
XLogP2.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one (CID 164619905) is (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one is C[C@@H](O)CCCCCCCCC[C@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one?
The InChIKey is RPNKWHNJSFMHIV-QLFBSQMISA-N. The full InChI is InChI=1S/C16H30O4/c1-13(17)9-7-5-3-2-4-6-8-10-14(18)15-11-12-16(19)20-15/h13-15,17-18H,2-12H2,1H3/t13-,14+,15-/m1/s1.
What are the key properties of (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one?
(5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one has a molecular weight of 286.41 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,11R)-1,11-dihydroxydodecyl]oxolan-2-one is sourced from PubChem (CID 164619905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).