2-methyltridecane-2,4-diol

C14H30O2 — CID 90439736

IUPAC2-methyltridecane-2,4-diol
SMILESCCCCCCCCCC(O)CC(C)(C)O
InChIInChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-13(15)12-14(2,3)16/h13,15-16H,4-12H2,1-3H3
InChIKeyNEDPFNDKLOEXEL-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.65
Rot. Bonds10

About 2-methyltridecane-2,4-diol

2-methyltridecane-2,4-diol (PubChem CID 90439736) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-methyltridecane-2,4-diol.

Molecular Properties

Compound Name2-methyltridecane-2,4-diol
PubChem CID90439736
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-methyltridecane-2,4-diol
SMILESCCCCCCCCCC(O)CC(C)(C)O
InChIInChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-13(15)12-14(2,3)16/h13,15-16H,4-12H2,1-3H3
InChIKeyNEDPFNDKLOEXEL-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.65
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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hexatriacontan-17-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methyltridecane-2,4-diol?
The IUPAC name of 2-methyltridecane-2,4-diol (CID 90439736) is 2-methyltridecane-2,4-diol.
What is the SMILES notation for 2-methyltridecane-2,4-diol?
The canonical SMILES for 2-methyltridecane-2,4-diol is CCCCCCCCCC(O)CC(C)(C)O.
What is the InChIKey of 2-methyltridecane-2,4-diol?
The InChIKey is NEDPFNDKLOEXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-13(15)12-14(2,3)16/h13,15-16H,4-12H2,1-3H3.
What are the key properties of 2-methyltridecane-2,4-diol?
2-methyltridecane-2,4-diol has a molecular weight of 230.39 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltridecane-2,4-diol is sourced from PubChem (CID 90439736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).