(4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one

C18H28O2 — CID 19844350

IUPAC(4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one
SMILESCC(=O)C/C=C/C(C)=C/C=C/C(C)(O)CCC=C(C)C
InChIInChI=1S/C18H28O2/c1-15(2)9-7-13-18(5,20)14-8-11-16(3)10-6-12-17(4)19/h6,8-11,14,20H,7,12-13H2,1-5H3/b10-6+,14-8+,16-11+
InChIKeyWPAANNWODNKWLX-JYIXWICCSA-N
MW276.42 g/mol
LogP4.52
Rot. Bonds8

About (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one

(4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one (PubChem CID 19844350) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one.

Molecular Properties

Compound Name(4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one
PubChem CID19844350
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one
SMILESCC(=O)C/C=C/C(C)=C/C=C/C(C)(O)CCC=C(C)C
InChIInChI=1S/C18H28O2/c1-15(2)9-7-13-18(5,20)14-8-11-16(3)10-6-12-17(4)19/h6,8-11,14,20H,7,12-13H2,1-5H3/b10-6+,14-8+,16-11+
InChIKeyWPAANNWODNKWLX-JYIXWICCSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one?
The IUPAC name of (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one (CID 19844350) is (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one.
What is the SMILES notation for (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one?
The canonical SMILES for (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one is CC(=O)C/C=C/C(C)=C/C=C/C(C)(O)CCC=C(C)C.
What is the InChIKey of (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one?
The InChIKey is WPAANNWODNKWLX-JYIXWICCSA-N. The full InChI is InChI=1S/C18H28O2/c1-15(2)9-7-13-18(5,20)14-8-11-16(3)10-6-12-17(4)19/h6,8-11,14,20H,7,12-13H2,1-5H3/b10-6+,14-8+,16-11+.
What are the key properties of (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one?
(4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one has a molecular weight of 276.42 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-4,6,8,13-tetraen-2-one is sourced from PubChem (CID 19844350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).