methane;tridecane-1,13-diol

C14H32O2 — CID 174975453

IUPACmethane;tridecane-1,13-diol
SMILESC.OCCCCCCCCCCCCCO
InChIInChI=1S/C13H28O2.CH4/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15;/h14-15H,1-13H2;1H4
InChIKeyXVYGBKCJRXHXQD-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.90
Rot. Bonds12

About methane;tridecane-1,13-diol

methane;tridecane-1,13-diol (PubChem CID 174975453) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is methane;tridecane-1,13-diol.

Molecular Properties

Compound Namemethane;tridecane-1,13-diol
PubChem CID174975453
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Namemethane;tridecane-1,13-diol
SMILESC.OCCCCCCCCCCCCCO
InChIInChI=1S/C13H28O2.CH4/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15;/h14-15H,1-13H2;1H4
InChIKeyXVYGBKCJRXHXQD-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.90
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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pentadecane-1,15-diol
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heptane-1,7-diol;nonane-1,9-diol
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tricosane-1,23-diol
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dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
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CID 158555375
CID 158555375
hexane-1,6-diol;hydroiodide
CID 175146639
methanediol;pentane-1,5-diol
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butane-1,4-diol;zinc
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Frequently Asked Questions

What is the IUPAC name of methane;tridecane-1,13-diol?
The IUPAC name of methane;tridecane-1,13-diol (CID 174975453) is methane;tridecane-1,13-diol.
What is the SMILES notation for methane;tridecane-1,13-diol?
The canonical SMILES for methane;tridecane-1,13-diol is C.OCCCCCCCCCCCCCO.
What is the InChIKey of methane;tridecane-1,13-diol?
The InChIKey is XVYGBKCJRXHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.CH4/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15;/h14-15H,1-13H2;1H4.
What are the key properties of methane;tridecane-1,13-diol?
methane;tridecane-1,13-diol has a molecular weight of 232.41 g/mol, XLogP of 3.90, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tridecane-1,13-diol is sourced from PubChem (CID 174975453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).