2-methoxy-2,3-dimethylundecane

C14H30O — CID 150941081

IUPAC2-methoxy-2,3-dimethylundecane
SMILESCCCCCCCCC(C)C(C)(C)OC
InChIInChI=1S/C14H30O/c1-6-7-8-9-10-11-12-13(2)14(3,4)15-5/h13H,6-12H2,1-5H3
InChIKeyLIBIVXWDZGWCQC-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.80
Rot. Bonds9

About 2-methoxy-2,3-dimethylundecane

2-methoxy-2,3-dimethylundecane (PubChem CID 150941081) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-methoxy-2,3-dimethylundecane.

Molecular Properties

Compound Name2-methoxy-2,3-dimethylundecane
PubChem CID150941081
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-methoxy-2,3-dimethylundecane
SMILESCCCCCCCCC(C)C(C)(C)OC
InChIInChI=1S/C14H30O/c1-6-7-8-9-10-11-12-13(2)14(3,4)15-5/h13H,6-12H2,1-5H3
InChIKeyLIBIVXWDZGWCQC-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.80
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

2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
2,2,3-trimethylundecane
CID 21285055
2,3-dimethylhenicosan-2-yl(trimethoxy)azanium
CID 175531441
10,10-dimethoxy-9-methyloctacosane
CID 151883229
7,7-dimethoxy-8-methylhexadecane
CID 150332936
5,5-dimethoxy-6-methyltetradecane
CID 150194841
10,10-dimethoxy-9-methylhenicosane
CID 150642222
2,3-dimethyldecan-2-yl dihydrogen phosphate
CID 19995674
2-amino-3-methylheptadecan-2-ol
CID 88695872
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
2,3,3,4-tetramethylnonadecane
CID 174953704
2,3-dimethylhexadecan-2-amine
CID 87479269

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3-dimethylundecane?
The IUPAC name of 2-methoxy-2,3-dimethylundecane (CID 150941081) is 2-methoxy-2,3-dimethylundecane.
What is the SMILES notation for 2-methoxy-2,3-dimethylundecane?
The canonical SMILES for 2-methoxy-2,3-dimethylundecane is CCCCCCCCC(C)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2,3-dimethylundecane?
The InChIKey is LIBIVXWDZGWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-6-7-8-9-10-11-12-13(2)14(3,4)15-5/h13H,6-12H2,1-5H3.
What are the key properties of 2-methoxy-2,3-dimethylundecane?
2-methoxy-2,3-dimethylundecane has a molecular weight of 214.39 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dimethylundecane is sourced from PubChem (CID 150941081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).