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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Related Compounds

(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
CID 177477275
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
14-propan-2-yl-oxacyclohexadecan-2-one
CID 123475189
(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one
CID 10956529
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione
CID 23567721
cyclohexanecarboxylic acid;oxepan-2-one
CID 174966335
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
4-oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 141013628

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).