3-hydroxy-4-methoxy-3-methylpentanal

C7H14O3 — CID 114795398

IUPAC3-hydroxy-4-methoxy-3-methylpentanal
SMILESCOC(C)C(C)(O)CC=O
InChIInChI=1S/C7H14O3/c1-6(10-3)7(2,9)4-5-8/h5-6,9H,4H2,1-3H3
InChIKeyPLCFCVKQUYUGPZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.36
Rot. Bonds4

About 3-hydroxy-4-methoxy-3-methylpentanal

3-hydroxy-4-methoxy-3-methylpentanal (PubChem CID 114795398) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-3-methylpentanal.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-3-methylpentanal
PubChem CID114795398
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-hydroxy-4-methoxy-3-methylpentanal
SMILESCOC(C)C(C)(O)CC=O
InChIInChI=1S/C7H14O3/c1-6(10-3)7(2,9)4-5-8/h5-6,9H,4H2,1-3H3
InChIKeyPLCFCVKQUYUGPZ-UHFFFAOYSA-N
XLogP0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-methoxy-3-methylpentanal with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-2,2-dimethylbutanal
CID 12739595
1-[2-(2-hydroxyethoxy)ethoxy]-3-methoxy-2-methylbutan-2-ol
CID 174782755
3-methoxy-3,5-dimethylhexanal
CID 87292103
(3S,4S,5R)-5-hydroxy-4-methoxy-3-methyl-3-nitrohexanal
CID 101194823
(3S,4R,5S)-5-hydroxy-4-methoxy-3-methyl-3-nitrohexanal
CID 5461036
3,3,4,5-tetrahydroxyhexanal
CID 153409795
(E)-6-hydroxy-2,2,5-trimethylhept-4-enal
CID 14565128
4-ethyl-3,3-dimethylhexanal
CID 174632708
(3S)-3,5-dihydroxy-3-methylpentanal
CID 131159898
(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal
CID 101409838
sodium 2-hydroxy-3-methoxybutane-2-sulfonate
CID 103574242
3-[[4,7-bis[2-hydroxy-3-methoxy-2-(1-methoxyethyl)butyl]-1,4,7-triazonan-1-yl]methyl]-2,4-dimethoxypentan-3-ol
CID 18740664

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-3-methylpentanal?
The IUPAC name of 3-hydroxy-4-methoxy-3-methylpentanal (CID 114795398) is 3-hydroxy-4-methoxy-3-methylpentanal.
What is the SMILES notation for 3-hydroxy-4-methoxy-3-methylpentanal?
The canonical SMILES for 3-hydroxy-4-methoxy-3-methylpentanal is COC(C)C(C)(O)CC=O.
What is the InChIKey of 3-hydroxy-4-methoxy-3-methylpentanal?
The InChIKey is PLCFCVKQUYUGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(10-3)7(2,9)4-5-8/h5-6,9H,4H2,1-3H3.
What are the key properties of 3-hydroxy-4-methoxy-3-methylpentanal?
3-hydroxy-4-methoxy-3-methylpentanal has a molecular weight of 146.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-3-methylpentanal is sourced from PubChem (CID 114795398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).