(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione

C15H24O3 — CID 88950357

IUPAC(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione
SMILESC/C=C/C(=O)C(C)/C=C/C(=O)C(C)C(O)CCC
InChIInChI=1S/C15H24O3/c1-5-7-13(16)11(3)9-10-15(18)12(4)14(17)8-6-2/h5,7,9-12,14,17H,6,8H2,1-4H3/b7-5+,10-9+
InChIKeyDNCSHMSBLFXNQK-GLVZAGOZSA-N
MW252.35 g/mol
LogP2.69
Rot. Bonds8

About (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione

(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione (PubChem CID 88950357) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione.

Molecular Properties

Compound Name(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione
PubChem CID88950357
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione
SMILESC/C=C/C(=O)C(C)/C=C/C(=O)C(C)C(O)CCC
InChIInChI=1S/C15H24O3/c1-5-7-13(16)11(3)9-10-15(18)12(4)14(17)8-6-2/h5,7,9-12,14,17H,6,8H2,1-4H3/b7-5+,10-9+
InChIKeyDNCSHMSBLFXNQK-GLVZAGOZSA-N
XLogP2.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione?
The IUPAC name of (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione (CID 88950357) is (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione.
What is the SMILES notation for (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione?
The canonical SMILES for (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione is C/C=C/C(=O)C(C)/C=C/C(=O)C(C)C(O)CCC.
What is the InChIKey of (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione?
The InChIKey is DNCSHMSBLFXNQK-GLVZAGOZSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-7-13(16)11(3)9-10-15(18)12(4)14(17)8-6-2/h5,7,9-12,14,17H,6,8H2,1-4H3/b7-5+,10-9+.
What are the key properties of (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione?
(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione has a molecular weight of 252.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione is sourced from PubChem (CID 88950357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).