4,9-dihydroxy-2-methylnon-1-en-3-one

C10H18O3 — CID 14120431

IUPAC4,9-dihydroxy-2-methylnon-1-en-3-one
SMILESC=C(C)C(=O)C(O)CCCCCO
InChIInChI=1S/C10H18O3/c1-8(2)10(13)9(12)6-4-3-5-7-11/h9,11-12H,1,3-7H2,2H3
InChIKeyLRGIXWRCKOFPEV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.05
Rot. Bonds7

About 4,9-dihydroxy-2-methylnon-1-en-3-one

4,9-dihydroxy-2-methylnon-1-en-3-one (PubChem CID 14120431) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4,9-dihydroxy-2-methylnon-1-en-3-one.

Molecular Properties

Compound Name4,9-dihydroxy-2-methylnon-1-en-3-one
PubChem CID14120431
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4,9-dihydroxy-2-methylnon-1-en-3-one
SMILESC=C(C)C(=O)C(O)CCCCCO
InChIInChI=1S/C10H18O3/c1-8(2)10(13)9(12)6-4-3-5-7-11/h9,11-12H,1,3-7H2,2H3
InChIKeyLRGIXWRCKOFPEV-UHFFFAOYSA-N
XLogP1.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,9-dihydroxy-2-methylnon-1-en-3-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 4,9-dihydroxy-2-methylnon-1-en-3-one?
The IUPAC name of 4,9-dihydroxy-2-methylnon-1-en-3-one (CID 14120431) is 4,9-dihydroxy-2-methylnon-1-en-3-one.
What is the SMILES notation for 4,9-dihydroxy-2-methylnon-1-en-3-one?
The canonical SMILES for 4,9-dihydroxy-2-methylnon-1-en-3-one is C=C(C)C(=O)C(O)CCCCCO.
What is the InChIKey of 4,9-dihydroxy-2-methylnon-1-en-3-one?
The InChIKey is LRGIXWRCKOFPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)10(13)9(12)6-4-3-5-7-11/h9,11-12H,1,3-7H2,2H3.
What are the key properties of 4,9-dihydroxy-2-methylnon-1-en-3-one?
4,9-dihydroxy-2-methylnon-1-en-3-one has a molecular weight of 186.25 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxy-2-methylnon-1-en-3-one is sourced from PubChem (CID 14120431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).