2-methylundecane-1,4-diol

C12H26O2 — CID 149251762

IUPAC2-methylundecane-1,4-diol
SMILESCCCCCCCC(O)CC(C)CO
InChIInChI=1S/C12H26O2/c1-3-4-5-6-7-8-12(14)9-11(2)10-13/h11-14H,3-10H2,1-2H3
InChIKeyVOSJDDGCFYLSHQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.73
Rot. Bonds9

About 2-methylundecane-1,4-diol

2-methylundecane-1,4-diol (PubChem CID 149251762) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methylundecane-1,4-diol.

Molecular Properties

Compound Name2-methylundecane-1,4-diol
PubChem CID149251762
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-methylundecane-1,4-diol
SMILESCCCCCCCC(O)CC(C)CO
InChIInChI=1S/C12H26O2/c1-3-4-5-6-7-8-12(14)9-11(2)10-13/h11-14H,3-10H2,1-2H3
InChIKeyVOSJDDGCFYLSHQ-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyltridecan-5-ol
CID 13025106
hentriacontane-14,16-diol
CID 87514654
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
(6S,8S)-heptacosane-6,8-diol
CID 10693038
2-methyldodecane-1,8-diol
CID 59660146
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
(2R,4R)-decane-2,4-diol
CID 16752205
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
octane-1,2-diol
CID 159791136

Frequently Asked Questions

What is the IUPAC name of 2-methylundecane-1,4-diol?
The IUPAC name of 2-methylundecane-1,4-diol (CID 149251762) is 2-methylundecane-1,4-diol.
What is the SMILES notation for 2-methylundecane-1,4-diol?
The canonical SMILES for 2-methylundecane-1,4-diol is CCCCCCCC(O)CC(C)CO.
What is the InChIKey of 2-methylundecane-1,4-diol?
The InChIKey is VOSJDDGCFYLSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-4-5-6-7-8-12(14)9-11(2)10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-methylundecane-1,4-diol?
2-methylundecane-1,4-diol has a molecular weight of 202.34 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundecane-1,4-diol is sourced from PubChem (CID 149251762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).