methoxymethane;tridecane-1,1-diol

C15H34O3 — CID 18004105

IUPACmethoxymethane;tridecane-1,1-diol
SMILESCCCCCCCCCCCCC(O)O.COC
InChIInChI=1S/C13H28O2.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-3-2/h13-15H,2-12H2,1H3;1-2H3
InChIKeyUJSSCURJAHRCLI-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.87
Rot. Bonds11

About methoxymethane;tridecane-1,1-diol

methoxymethane;tridecane-1,1-diol (PubChem CID 18004105) has the molecular formula C15H34O3 and a molecular weight of 262.43 g/mol. Its IUPAC name is methoxymethane;tridecane-1,1-diol.

Molecular Properties

Compound Namemethoxymethane;tridecane-1,1-diol
PubChem CID18004105
Molecular FormulaC15H34O3
Molecular Weight262.43 g/mol
Exact Mass262.25
IUPAC Namemethoxymethane;tridecane-1,1-diol
SMILESCCCCCCCCCCCCC(O)O.COC
InChIInChI=1S/C13H28O2.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-3-2/h13-15H,2-12H2,1H3;1-2H3
InChIKeyUJSSCURJAHRCLI-UHFFFAOYSA-N
XLogP3.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
5-sulfanylhexadecane-1,1-diol
CID 57290183
bis(octane);octane-1,1-diol;titanium(3+)
CID 87212095
CID 172720711
CID 172720711
1-methoxytetradecan-1-ol
CID 19981330
1-methoxydodecan-1-ol
CID 19981343
hexane-1,1-diol carbonate
CID 22286932

Frequently Asked Questions

What is the IUPAC name of methoxymethane;tridecane-1,1-diol?
The IUPAC name of methoxymethane;tridecane-1,1-diol (CID 18004105) is methoxymethane;tridecane-1,1-diol.
What is the SMILES notation for methoxymethane;tridecane-1,1-diol?
The canonical SMILES for methoxymethane;tridecane-1,1-diol is CCCCCCCCCCCCC(O)O.COC.
What is the InChIKey of methoxymethane;tridecane-1,1-diol?
The InChIKey is UJSSCURJAHRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-3-2/h13-15H,2-12H2,1H3;1-2H3.
What are the key properties of methoxymethane;tridecane-1,1-diol?
methoxymethane;tridecane-1,1-diol has a molecular weight of 262.43 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;tridecane-1,1-diol is sourced from PubChem (CID 18004105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).