2-methyldodecane-3,4-diol

C13H28O2 — CID 103456553

IUPAC2-methyldodecane-3,4-diol
SMILESCCCCCCCCC(O)C(O)C(C)C
InChIInChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-12(14)13(15)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyZFCUMYPDMAYOQU-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.11
Rot. Bonds9

About 2-methyldodecane-3,4-diol

2-methyldodecane-3,4-diol (PubChem CID 103456553) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-methyldodecane-3,4-diol.

Molecular Properties

Compound Name2-methyldodecane-3,4-diol
PubChem CID103456553
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-methyldodecane-3,4-diol
SMILESCCCCCCCCC(O)C(O)C(C)C
InChIInChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-12(14)13(15)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyZFCUMYPDMAYOQU-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

tridecane-2,3,4-triol
CID 90443062
nonacosane-14,15-diol
CID 91509633
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
2,3-dimethylundecan-4-ol
CID 115783082
(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
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
pentadecane-4,5-diol
CID 103454846
heptadecane-2,5,6-triol
CID 90443080

Frequently Asked Questions

What is the IUPAC name of 2-methyldodecane-3,4-diol?
The IUPAC name of 2-methyldodecane-3,4-diol (CID 103456553) is 2-methyldodecane-3,4-diol.
What is the SMILES notation for 2-methyldodecane-3,4-diol?
The canonical SMILES for 2-methyldodecane-3,4-diol is CCCCCCCCC(O)C(O)C(C)C.
What is the InChIKey of 2-methyldodecane-3,4-diol?
The InChIKey is ZFCUMYPDMAYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-12(14)13(15)11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyldodecane-3,4-diol?
2-methyldodecane-3,4-diol has a molecular weight of 216.36 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodecane-3,4-diol is sourced from PubChem (CID 103456553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).