2-methyldodecane-1,8-diol

C13H28O2 — CID 59660146

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

About 2-methyldodecane-1,8-diol

2-methyldodecane-1,8-diol (PubChem CID 59660146) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-methyldodecane-1,8-diol.

Molecular Properties

Compound Name2-methyldodecane-1,8-diol
PubChem CID59660146
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-methyldodecane-1,8-diol
SMILESCCCCC(O)CCCCCC(C)CO
InChIInChI=1S/C13H28O2/c1-3-4-9-13(15)10-7-5-6-8-12(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyIGDXJGTYNJXCFT-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

2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
2-methylhexan-1-ol
CID 159157237
hexadecan-5-ol;propane-1,2-diol
CID 162138861
11-methylnonadecan-7-ol
CID 87923390
2,6-dimethyldodecan-1-ol
CID 14392571
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,10-diol
CID 170722579
icosane-5,11-diol
CID 170722582
2-methylundecane-1,4-diol
CID 149251762
octadecane-2,14-diol
CID 170722506

Frequently Asked Questions

What is the IUPAC name of 2-methyldodecane-1,8-diol?
The IUPAC name of 2-methyldodecane-1,8-diol (CID 59660146) is 2-methyldodecane-1,8-diol.
What is the SMILES notation for 2-methyldodecane-1,8-diol?
The canonical SMILES for 2-methyldodecane-1,8-diol is CCCCC(O)CCCCCC(C)CO.
What is the InChIKey of 2-methyldodecane-1,8-diol?
The InChIKey is IGDXJGTYNJXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-3-4-9-13(15)10-7-5-6-8-12(2)11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-methyldodecane-1,8-diol?
2-methyldodecane-1,8-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-1,8-diol is sourced from PubChem (CID 59660146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).