cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one

C15H28O4 — CID 175759796

IUPACcis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
SMILESO=C1CCCCCCCCCC[C@H](O)[C@H](O)CCO1
InChIInChI=1S/C15H28O4/c16-13-9-7-5-3-1-2-4-6-8-10-15(18)19-12-11-14(13)17/h13-14,16-17H,1-12H2/t13-,14+/m0/s1
InChIKeyFOEYHUNDVPCXBT-UONOGXRCSA-N
MW272.38 g/mol
LogP2.56
Rot. Bonds

About cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one

cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one (PubChem CID 175759796) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one.

Molecular Properties

Compound Namecis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
PubChem CID175759796
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namecis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
SMILESO=C1CCCCCCCCCC[C@H](O)[C@H](O)CCO1
InChIInChI=1S/C15H28O4/c16-13-9-7-5-3-1-2-4-6-8-10-15(18)19-12-11-14(13)17/h13-14,16-17H,1-12H2/t13-,14+/m0/s1
InChIKeyFOEYHUNDVPCXBT-UONOGXRCSA-N
XLogP2.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one?
The IUPAC name of cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one (CID 175759796) is cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one.
What is the SMILES notation for cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one?
The canonical SMILES for cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one is O=C1CCCCCCCCCC[C@H](O)[C@H](O)CCO1.
What is the InChIKey of cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one?
The InChIKey is FOEYHUNDVPCXBT-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28O4/c16-13-9-7-5-3-1-2-4-6-8-10-15(18)19-12-11-14(13)17/h13-14,16-17H,1-12H2/t13-,14+/m0/s1.
What are the key properties of cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one?
cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one has a molecular weight of 272.38 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one is sourced from PubChem (CID 175759796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).