2-methyldodecane-2,3-diol

C13H28O2 — CID 90439854

IUPAC2-methyldodecane-2,3-diol
SMILESCCCCCCCCCC(O)C(C)(C)O
InChIInChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-11-12(14)13(2,3)15/h12,14-15H,4-11H2,1-3H3
InChIKeyAHMSHKUNUTUDNG-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.26
Rot. Bonds9

About 2-methyldodecane-2,3-diol

2-methyldodecane-2,3-diol (PubChem CID 90439854) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-methyldodecane-2,3-diol.

Molecular Properties

Compound Name2-methyldodecane-2,3-diol
PubChem CID90439854
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-methyldodecane-2,3-diol
SMILESCCCCCCCCCC(O)C(C)(C)O
InChIInChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-11-12(14)13(2,3)15/h12,14-15H,4-11H2,1-3H3
InChIKeyAHMSHKUNUTUDNG-UHFFFAOYSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.26
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

2-methylheptadecane-2,3-diol
CID 90439823
3-methyldodecane-3,4-diol
CID 103448703
13-methyltetradecane-1,12,13-triol
CID 90439785
16-methylheptadecane-1,15,16-triol
CID 90439756
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
8-pentylhexadecane-8,9-diol
CID 141007443
7-heptyltetradecane-6,7,8-triol
CID 57173572
10-heptylicosane-9,10,11-triol
CID 91021869
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
3,3-diethyldecan-4-ol
CID 150278197
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
3-aminohenicosane-3,4-diol
CID 87769820

Frequently Asked Questions

What is the IUPAC name of 2-methyldodecane-2,3-diol?
The IUPAC name of 2-methyldodecane-2,3-diol (CID 90439854) is 2-methyldodecane-2,3-diol.
What is the SMILES notation for 2-methyldodecane-2,3-diol?
The canonical SMILES for 2-methyldodecane-2,3-diol is CCCCCCCCCC(O)C(C)(C)O.
What is the InChIKey of 2-methyldodecane-2,3-diol?
The InChIKey is AHMSHKUNUTUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-11-12(14)13(2,3)15/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 2-methyldodecane-2,3-diol?
2-methyldodecane-2,3-diol has a molecular weight of 216.36 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodecane-2,3-diol is sourced from PubChem (CID 90439854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).