3-hydroxy-2-methyldecanal

C11H22O2 — CID 87290911

IUPAC3-hydroxy-2-methyldecanal
SMILESCCCCCCCC(O)C(C)C=O
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13)10(2)9-12/h9-11,13H,3-8H2,1-2H3
InChIKeyYLWYXLUXYRCFDU-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.54
Rot. Bonds8

About 3-hydroxy-2-methyldecanal

3-hydroxy-2-methyldecanal (PubChem CID 87290911) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-hydroxy-2-methyldecanal.

Molecular Properties

Compound Name3-hydroxy-2-methyldecanal
PubChem CID87290911
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-hydroxy-2-methyldecanal
SMILESCCCCCCCC(O)C(C)C=O
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13)10(2)9-12/h9-11,13H,3-8H2,1-2H3
InChIKeyYLWYXLUXYRCFDU-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-methyldecanal 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

(2S,3R)-3-hydroxy-2-methyloctanal
CID 134965378
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
nonacosane-14,15-diol
CID 91509633
3-amino-2-methylicosanal
CID 175546884
acetic acid;pentadecane-2,3-diol
CID 175167474
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
16-methylheptadecane-7,8-diol
CID 118508542
7-methylhexadecan-8-ol
CID 122652609
2-methyldodecanal
CID 87784106
8-methyltetradecan-7-ol
CID 88908615

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyldecanal?
The IUPAC name of 3-hydroxy-2-methyldecanal (CID 87290911) is 3-hydroxy-2-methyldecanal.
What is the SMILES notation for 3-hydroxy-2-methyldecanal?
The canonical SMILES for 3-hydroxy-2-methyldecanal is CCCCCCCC(O)C(C)C=O.
What is the InChIKey of 3-hydroxy-2-methyldecanal?
The InChIKey is YLWYXLUXYRCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13)10(2)9-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyldecanal?
3-hydroxy-2-methyldecanal has a molecular weight of 186.29 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyldecanal is sourced from PubChem (CID 87290911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).