(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one

C16H28O3 — CID 135338051

IUPAC(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one
SMILESC[C@@H]1CCCCCCCCCC[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H28O3/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)12-13-16(18)19-14/h12-15,17H,2-11H2,1H3/b13-12+/t14-,15+/m1/s1
InChIKeyJVNFUDLQCWWEEB-WCVFXIOZSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds

About (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one

(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one (PubChem CID 135338051) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one.

Molecular Properties

Compound Name(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one
PubChem CID135338051
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one
SMILESC[C@@H]1CCCCCCCCCC[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H28O3/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)12-13-16(18)19-14/h12-15,17H,2-11H2,1H3/b13-12+/t14-,15+/m1/s1
InChIKeyJVNFUDLQCWWEEB-WCVFXIOZSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one?
The IUPAC name of (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one (CID 135338051) is (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one.
What is the SMILES notation for (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one?
The canonical SMILES for (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one is C[C@@H]1CCCCCCCCCC[C@H](O)/C=C/C(=O)O1.
What is the InChIKey of (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one?
The InChIKey is JVNFUDLQCWWEEB-WCVFXIOZSA-N. The full InChI is InChI=1S/C16H28O3/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)12-13-16(18)19-14/h12-15,17H,2-11H2,1H3/b13-12+/t14-,15+/m1/s1.
What are the key properties of (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one?
(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one has a molecular weight of 268.40 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one is sourced from PubChem (CID 135338051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).