(3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one

C16H24O2 — CID 165161768

IUPAC(3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one
SMILESCC1CCCC/C=C\CCC/C=C/C=C\C(=O)O1
InChIInChI=1S/C16H24O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h3,5,8,10,12,14-15H,2,4,6-7,9,11,13H2,1H3/b5-3-,10-8+,14-12-
InChIKeyNGUOKRATTBMYFF-AUARVVMUSA-N
MW248.37 g/mol
LogP4.33
Rot. Bonds

About (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one

(3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one (PubChem CID 165161768) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one.

Molecular Properties

Compound Name(3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one
PubChem CID165161768
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one
SMILESCC1CCCC/C=C\CCC/C=C/C=C\C(=O)O1
InChIInChI=1S/C16H24O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h3,5,8,10,12,14-15H,2,4,6-7,9,11,13H2,1H3/b5-3-,10-8+,14-12-
InChIKeyNGUOKRATTBMYFF-AUARVVMUSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one?
The IUPAC name of (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one (CID 165161768) is (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one.
What is the SMILES notation for (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one?
The canonical SMILES for (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one is CC1CCCC/C=C\CCC/C=C/C=C\C(=O)O1.
What is the InChIKey of (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one?
The InChIKey is NGUOKRATTBMYFF-AUARVVMUSA-N. The full InChI is InChI=1S/C16H24O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h3,5,8,10,12,14-15H,2,4,6-7,9,11,13H2,1H3/b5-3-,10-8+,14-12-.
What are the key properties of (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one?
(3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,10Z)-16-methyl-1-oxacyclohexadeca-3,5,10-trien-2-one is sourced from PubChem (CID 165161768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).