(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one

C18H30O2 — CID 23426356

IUPAC(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one
SMILESC=C(C)[C@H](O)CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C18H30O2/c1-14(2)18(20)13-12-16(4)9-6-8-15(3)10-7-11-17(5)19/h9-10,18,20H,1,6-8,11-13H2,2-5H3/b15-10+,16-9+/t18-/m1/s1
InChIKeyKUTNIFBDXANLKK-CUAZYIIYSA-N
MW278.44 g/mol
LogP4.75
Rot. Bonds10

About (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one

(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one (PubChem CID 23426356) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one.

Molecular Properties

Compound Name(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one
PubChem CID23426356
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one
SMILESC=C(C)[C@H](O)CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C18H30O2/c1-14(2)18(20)13-12-16(4)9-6-8-15(3)10-7-11-17(5)19/h9-10,18,20H,1,6-8,11-13H2,2-5H3/b15-10+,16-9+/t18-/m1/s1
InChIKeyKUTNIFBDXANLKK-CUAZYIIYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one?
The IUPAC name of (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one (CID 23426356) is (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one.
What is the SMILES notation for (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one?
The canonical SMILES for (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one is C=C(C)[C@H](O)CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one?
The InChIKey is KUTNIFBDXANLKK-CUAZYIIYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)18(20)13-12-16(4)9-6-8-15(3)10-7-11-17(5)19/h9-10,18,20H,1,6-8,11-13H2,2-5H3/b15-10+,16-9+/t18-/m1/s1.
What are the key properties of (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one?
(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one has a molecular weight of 278.44 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one is sourced from PubChem (CID 23426356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).