(3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one

C16H24O3 — CID 38357897

IUPAC(3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
SMILESC[C@@H]1C/C=C/C=C/CC[C@H](O)CCC/C=C/C(=O)O1
InChIInChI=1S/C16H24O3/c1-14-10-6-3-2-4-7-11-15(17)12-8-5-9-13-16(18)19-14/h2-4,6,9,13-15,17H,5,7-8,10-12H2,1H3/b4-2+,6-3+,13-9+/t14-,15+/m1/s1
InChIKeyRULXJEXEFMKXHG-NBUTXBNQSA-N
MW264.37 g/mol
LogP3.30
Rot. Bonds

About (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one

(3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one (PubChem CID 38357897) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one.

Molecular Properties

Compound Name(3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
PubChem CID38357897
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one
SMILESC[C@@H]1C/C=C/C=C/CC[C@H](O)CCC/C=C/C(=O)O1
InChIInChI=1S/C16H24O3/c1-14-10-6-3-2-4-7-11-15(17)12-8-5-9-13-16(18)19-14/h2-4,6,9,13-15,17H,5,7-8,10-12H2,1H3/b4-2+,6-3+,13-9+/t14-,15+/m1/s1
InChIKeyRULXJEXEFMKXHG-NBUTXBNQSA-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

Analyze (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one with MolForge

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Related Compounds

(3Z,5Z,8R,9Z,11Z,14R,16R,17Z,19Z,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163070469
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10949443
(3E,5S,8S,11E,16S)-5,8-dihydroxy-16-methyl-1-oxacyclohexadeca-3,11-dien-2-one
CID 176812223
(3Z,5Z,8R,9Z,11Z,13R,14R,16R,17Z,19Z,24R)-8,13,14,16-tetrahydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 139587772
(3Z,5E,8R,9E,11Z,14S,16R,17E,22R)-8,14,16-trihydroxy-22-methyl-1-oxacyclodocosa-3,5,9,11,17-pentaen-2-one
CID 162913525
(3E,14R)-14-methyl-1-oxacyclotetradec-3-en-2-one
CID 11127961
(12S)-12-methyl-1-oxacyclododec-3-en-2-one
CID 154368626
8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
CID 72731979
(4Z)-cyclooct-4-en-1-ol
CID 5381510
(3Z,5E,8R,9E,11Z,14S,16R,17E,19E,24S)-24-ethyl-8,14,16-trihydroxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163101541
4-[[(3E,5E,9E,11Z,17E,19E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
CID 156963218
4-[[(9E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
CID 172799055

Frequently Asked Questions

What is the IUPAC name of (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
The IUPAC name of (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one (CID 38357897) is (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one.
What is the SMILES notation for (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
The canonical SMILES for (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one is C[C@@H]1C/C=C/C=C/CC[C@H](O)CCC/C=C/C(=O)O1.
What is the InChIKey of (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
The InChIKey is RULXJEXEFMKXHG-NBUTXBNQSA-N. The full InChI is InChI=1S/C16H24O3/c1-14-10-6-3-2-4-7-11-15(17)12-8-5-9-13-16(18)19-14/h2-4,6,9,13-15,17H,5,7-8,10-12H2,1H3/b4-2+,6-3+,13-9+/t14-,15+/m1/s1.
What are the key properties of (3E,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one?
(3E,8R,11E,13E,16R)-8-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,8R,11E,13E,16R)-8-hydroxy-16-methyl-1-oxacyclohexadeca-3,11,13-trien-2-one is sourced from PubChem (CID 38357897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).