1-methoxy-3,10-dimethylundecane

C14H30O — CID 154134706

IUPAC1-methoxy-3,10-dimethylundecane
SMILESCOCCC(C)CCCCCCC(C)C
InChIInChI=1S/C14H30O/c1-13(2)9-7-5-6-8-10-14(3)11-12-15-4/h13-14H,5-12H2,1-4H3
InChIKeyVSLLUEAPBNJBAV-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds10

About 1-methoxy-3,10-dimethylundecane

1-methoxy-3,10-dimethylundecane (PubChem CID 154134706) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-methoxy-3,10-dimethylundecane.

Molecular Properties

Compound Name1-methoxy-3,10-dimethylundecane
PubChem CID154134706
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-methoxy-3,10-dimethylundecane
SMILESCOCCC(C)CCCCCCC(C)C
InChIInChI=1S/C14H30O/c1-13(2)9-7-5-6-8-10-14(3)11-12-15-4/h13-14H,5-12H2,1-4H3
InChIKeyVSLLUEAPBNJBAV-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4,8-dimethylnonane
CID 90974533
1,11-dimethoxy-2-methylundecane
CID 118982395
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
ethane;1-methoxy-3-methylbutane
CID 144580604
(4-methoxy-2-methylbutyl) 4-methylpentyl sulfite
CID 6421003
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,44-dimethyltripentacontane
CID 123367078
2,11,23-trimethylpentacosane
CID 123728262
2,10,16-trimethyloctacosane
CID 91748811
2,8-dimethylhexacosane
CID 91748840
1-methoxy-2,12-dimethyldocosane
CID 91752253

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,10-dimethylundecane?
The IUPAC name of 1-methoxy-3,10-dimethylundecane (CID 154134706) is 1-methoxy-3,10-dimethylundecane.
What is the SMILES notation for 1-methoxy-3,10-dimethylundecane?
The canonical SMILES for 1-methoxy-3,10-dimethylundecane is COCCC(C)CCCCCCC(C)C.
What is the InChIKey of 1-methoxy-3,10-dimethylundecane?
The InChIKey is VSLLUEAPBNJBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-13(2)9-7-5-6-8-10-14(3)11-12-15-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-methoxy-3,10-dimethylundecane?
1-methoxy-3,10-dimethylundecane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,10-dimethylundecane is sourced from PubChem (CID 154134706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).