(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one

C18H32O2 — CID 23426807

IUPAC(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one
SMILESC/C(=C\CCC(C)O)CCC/C(C)=C/C(=O)CC(C)C
InChIInChI=1S/C18H32O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,13-14,17,19H,6-8,10-12H2,1-5H3/b15-9+,16-13+
InChIKeyHXSDZVQOGYNJMZ-RNPYNJAESA-N
MW280.45 g/mol
LogP4.83
Rot. Bonds10

About (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one

(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one (PubChem CID 23426807) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one.

Molecular Properties

Compound Name(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one
PubChem CID23426807
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one
SMILESC/C(=C\CCC(C)O)CCC/C(C)=C/C(=O)CC(C)C
InChIInChI=1S/C18H32O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,13-14,17,19H,6-8,10-12H2,1-5H3/b15-9+,16-13+
InChIKeyHXSDZVQOGYNJMZ-RNPYNJAESA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one?
The IUPAC name of (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one (CID 23426807) is (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one.
What is the SMILES notation for (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one?
The canonical SMILES for (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one is C/C(=C\CCC(C)O)CCC/C(C)=C/C(=O)CC(C)C.
What is the InChIKey of (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one?
The InChIKey is HXSDZVQOGYNJMZ-RNPYNJAESA-N. The full InChI is InChI=1S/C18H32O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,13-14,17,19H,6-8,10-12H2,1-5H3/b15-9+,16-13+.
What are the key properties of (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one?
(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one has a molecular weight of 280.45 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one is sourced from PubChem (CID 23426807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).