1,2,2-trimethoxyundecane

C14H30O3 — CID 151416745

IUPAC1,2,2-trimethoxyundecane
SMILESCCCCCCCCCC(COC)(OC)OC
InChIInChI=1S/C14H30O3/c1-5-6-7-8-9-10-11-12-14(16-3,17-4)13-15-2/h5-13H2,1-4H3
InChIKeyOZRLXEAMVSHKOU-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.76
Rot. Bonds12

About 1,2,2-trimethoxyundecane

1,2,2-trimethoxyundecane (PubChem CID 151416745) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1,2,2-trimethoxyundecane.

Molecular Properties

Compound Name1,2,2-trimethoxyundecane
PubChem CID151416745
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1,2,2-trimethoxyundecane
SMILESCCCCCCCCCC(COC)(OC)OC
InChIInChI=1S/C14H30O3/c1-5-6-7-8-9-10-11-12-14(16-3,17-4)13-15-2/h5-13H2,1-4H3
InChIKeyOZRLXEAMVSHKOU-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
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

3,3-dimethoxynonane
CID 14785776
1,4,4-trimethoxytridecane
CID 150006661
5,5-dimethoxytetradecan-1-amine
CID 150037650
1,1,1-trimethoxytridecane
CID 102481821
5-methoxy-5-pentoxytetradecane
CID 161410500
11-methoxy-11-nonyltetracosane
CID 159441841
4-(dichloromethoxy)-4-methoxytridecane
CID 157145809
2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
3-ethyl-3-methoxydecane
CID 89190150
10,10-dipropoxyicosane
CID 150666261
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethoxyundecane?
The IUPAC name of 1,2,2-trimethoxyundecane (CID 151416745) is 1,2,2-trimethoxyundecane.
What is the SMILES notation for 1,2,2-trimethoxyundecane?
The canonical SMILES for 1,2,2-trimethoxyundecane is CCCCCCCCCC(COC)(OC)OC.
What is the InChIKey of 1,2,2-trimethoxyundecane?
The InChIKey is OZRLXEAMVSHKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-5-6-7-8-9-10-11-12-14(16-3,17-4)13-15-2/h5-13H2,1-4H3.
What are the key properties of 1,2,2-trimethoxyundecane?
1,2,2-trimethoxyundecane has a molecular weight of 246.39 g/mol, XLogP of 3.76, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethoxyundecane is sourced from PubChem (CID 151416745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).