2-methoxyoctadecane-1,18-diol

C19H40O3 — CID 139894208

IUPAC2-methoxyoctadecane-1,18-diol
SMILESCOC(CO)CCCCCCCCCCCCCCCCO
InChIInChI=1S/C19H40O3/c1-22-19(18-21)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20/h19-21H,2-18H2,1H3
InChIKeyIUCSYJTUUMNAGH-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.84
Rot. Bonds18

About 2-methoxyoctadecane-1,18-diol

2-methoxyoctadecane-1,18-diol (PubChem CID 139894208) has the molecular formula C19H40O3 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-methoxyoctadecane-1,18-diol.

Molecular Properties

Compound Name2-methoxyoctadecane-1,18-diol
PubChem CID139894208
Molecular FormulaC19H40O3
Molecular Weight316.53 g/mol
Exact Mass316.30
IUPAC Name2-methoxyoctadecane-1,18-diol
SMILESCOC(CO)CCCCCCCCCCCCCCCCO
InChIInChI=1S/C19H40O3/c1-22-19(18-21)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20/h19-21H,2-18H2,1H3
InChIKeyIUCSYJTUUMNAGH-UHFFFAOYSA-N
XLogP4.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
methoxymethane;octane-1,8-diol
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(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2-methoxyoctadecane-1,18-diol?
The IUPAC name of 2-methoxyoctadecane-1,18-diol (CID 139894208) is 2-methoxyoctadecane-1,18-diol.
What is the SMILES notation for 2-methoxyoctadecane-1,18-diol?
The canonical SMILES for 2-methoxyoctadecane-1,18-diol is COC(CO)CCCCCCCCCCCCCCCCO.
What is the InChIKey of 2-methoxyoctadecane-1,18-diol?
The InChIKey is IUCSYJTUUMNAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3/c1-22-19(18-21)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20/h19-21H,2-18H2,1H3.
What are the key properties of 2-methoxyoctadecane-1,18-diol?
2-methoxyoctadecane-1,18-diol has a molecular weight of 316.53 g/mol, XLogP of 4.84, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyoctadecane-1,18-diol is sourced from PubChem (CID 139894208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).