(3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one

C16H24O3 — CID 75528938

IUPAC(3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
SMILESCC1C/C=C/C=C\CCCCC(O)C/C=C/C(=O)O1
InChIInChI=1S/C16H24O3/c1-14-10-7-5-3-2-4-6-8-11-15(17)12-9-13-16(18)19-14/h2-3,5,7,9,13-15,17H,4,6,8,10-12H2,1H3/b3-2-,7-5+,13-9+
InChIKeyIKJZVOVTPXBUBG-QVWJMUBJSA-N
MW264.37 g/mol
LogP3.30
Rot. Bonds

About (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one

(3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one (PubChem CID 75528938) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one.

Molecular Properties

Compound Name(3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
PubChem CID75528938
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
SMILESCC1C/C=C/C=C\CCCCC(O)C/C=C/C(=O)O1
InChIInChI=1S/C16H24O3/c1-14-10-7-5-3-2-4-6-8-11-15(17)12-9-13-16(18)19-14/h2-3,5,7,9,13-15,17H,4,6,8,10-12H2,1H3/b3-2-,7-5+,13-9+
InChIKeyIKJZVOVTPXBUBG-QVWJMUBJSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
The IUPAC name of (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one (CID 75528938) is (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one.
What is the SMILES notation for (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
The canonical SMILES for (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one is CC1C/C=C/C=C\CCCCC(O)C/C=C/C(=O)O1.
What is the InChIKey of (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
The InChIKey is IKJZVOVTPXBUBG-QVWJMUBJSA-N. The full InChI is InChI=1S/C16H24O3/c1-14-10-7-5-3-2-4-6-8-11-15(17)12-9-13-16(18)19-14/h2-3,5,7,9,13-15,17H,4,6,8,10-12H2,1H3/b3-2-,7-5+,13-9+.
What are the key properties of (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
(3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one has a molecular weight of 264.37 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11Z,13E)-6-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one is sourced from PubChem (CID 75528938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).