2-methyldodecane-1,3-diol

C13H28O2 — CID 14736951

IUPAC2-methyldodecane-1,3-diol
SMILESCCCCCCCCCC(O)C(C)CO
InChIInChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-13(15)12(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyIVFPFWUZPBWQHD-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.12
Rot. Bonds10

About 2-methyldodecane-1,3-diol

2-methyldodecane-1,3-diol (PubChem CID 14736951) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-methyldodecane-1,3-diol.

Molecular Properties

Compound Name2-methyldodecane-1,3-diol
PubChem CID14736951
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-methyldodecane-1,3-diol
SMILESCCCCCCCCCC(O)C(C)CO
InChIInChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-13(15)12(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyIVFPFWUZPBWQHD-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.12
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

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8-methyltetradecan-7-ol
CID 88908615
4-methyltetradecan-5-ol
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(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
3-hydroxysulfanyl-2-methyloctadecane-1,4-diol
CID 143477743
nonacosane-14,15-diol
CID 91509633
(2S,3R)-2-propan-2-yloctadecane-1,3-diol
CID 58641115
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
16-methylheptadecane-7,8-diol
CID 118508542

Frequently Asked Questions

What is the IUPAC name of 2-methyldodecane-1,3-diol?
The IUPAC name of 2-methyldodecane-1,3-diol (CID 14736951) is 2-methyldodecane-1,3-diol.
What is the SMILES notation for 2-methyldodecane-1,3-diol?
The canonical SMILES for 2-methyldodecane-1,3-diol is CCCCCCCCCC(O)C(C)CO.
What is the InChIKey of 2-methyldodecane-1,3-diol?
The InChIKey is IVFPFWUZPBWQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-13(15)12(2)11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-methyldodecane-1,3-diol?
2-methyldodecane-1,3-diol has a molecular weight of 216.36 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodecane-1,3-diol is sourced from PubChem (CID 14736951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).