3-methoxydodecan-4-ol

C13H28O2 — CID 116710713

IUPAC3-methoxydodecan-4-ol
SMILESCCCCCCCCC(O)C(CC)OC
InChIInChI=1S/C13H28O2/c1-4-6-7-8-9-10-11-12(14)13(5-2)15-3/h12-14H,4-11H2,1-3H3
InChIKeyUDVFBYONWNTYCU-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.52
Rot. Bonds10

About 3-methoxydodecan-4-ol

3-methoxydodecan-4-ol (PubChem CID 116710713) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-methoxydodecan-4-ol.

Molecular Properties

Compound Name3-methoxydodecan-4-ol
PubChem CID116710713
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-methoxydodecan-4-ol
SMILESCCCCCCCCC(O)C(CC)OC
InChIInChI=1S/C13H28O2/c1-4-6-7-8-9-10-11-12(14)13(5-2)15-3/h12-14H,4-11H2,1-3H3
InChIKeyUDVFBYONWNTYCU-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
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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CID 54045994
2-methoxynonane-1,1-diol
CID 175114695
4-methoxynonan-5-ol
CID 116711594
3-methoxy-2-methylundecan-4-ol
CID 116711927
nonacosane-14,15-diol
CID 91509633
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
(2R,3R)-1,1-dimethoxydecane-2,3-diol
CID 121009247
5-butylundecan-6-ol
CID 89253058
(3R,4S,9R,11R)-3-methoxy-4-methyldotriacontane-9,11-diol
CID 102107820
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
4-ethoxydodecan-5-ol
CID 116711346

Frequently Asked Questions

What is the IUPAC name of 3-methoxydodecan-4-ol?
The IUPAC name of 3-methoxydodecan-4-ol (CID 116710713) is 3-methoxydodecan-4-ol.
What is the SMILES notation for 3-methoxydodecan-4-ol?
The canonical SMILES for 3-methoxydodecan-4-ol is CCCCCCCCC(O)C(CC)OC.
What is the InChIKey of 3-methoxydodecan-4-ol?
The InChIKey is UDVFBYONWNTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-6-7-8-9-10-11-12(14)13(5-2)15-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methoxydodecan-4-ol?
3-methoxydodecan-4-ol has a molecular weight of 216.36 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxydodecan-4-ol is sourced from PubChem (CID 116710713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).