3-methoxy-3-methyldodecane

C14H30O — CID 150409844

IUPAC3-methoxy-3-methyldodecane
SMILESCCCCCCCCCC(C)(CC)OC
InChIInChI=1S/C14H30O/c1-5-7-8-9-10-11-12-13-14(3,6-2)15-4/h5-13H2,1-4H3
InChIKeyHFNXLBRFFMKICK-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.94
Rot. Bonds10

About 3-methoxy-3-methyldodecane

3-methoxy-3-methyldodecane (PubChem CID 150409844) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-methoxy-3-methyldodecane.

Molecular Properties

Compound Name3-methoxy-3-methyldodecane
PubChem CID150409844
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-methoxy-3-methyldodecane
SMILESCCCCCCCCCC(C)(CC)OC
InChIInChI=1S/C14H30O/c1-5-7-8-9-10-11-12-13-14(3,6-2)15-4/h5-13H2,1-4H3
InChIKeyHFNXLBRFFMKICK-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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

3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
3-ethyl-3-methoxydecane
CID 89190150
3,3-dimethoxynonane
CID 14785776
1,1,1-trimethoxytridecane
CID 102481821
11-methoxy-11-nonyltetracosane
CID 159441841
9-heptoxy-9-methylhenicosane
CID 91127088
4-(2,4-dimethyloctadecan-4-yloxy)-2,4-dimethyloctadecane
CID 87666384
3-methoxy-3,7-dimethylnonane
CID 118351298
5,5,6,6-tetramethyltridecane
CID 173349107
7-methoxy-3,3,7-trimethylnonan-1-ol
CID 88874451
10,10-dimethoxy-9-methylhenicosane
CID 150642222

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyldodecane?
The IUPAC name of 3-methoxy-3-methyldodecane (CID 150409844) is 3-methoxy-3-methyldodecane.
What is the SMILES notation for 3-methoxy-3-methyldodecane?
The canonical SMILES for 3-methoxy-3-methyldodecane is CCCCCCCCCC(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methyldodecane?
The InChIKey is HFNXLBRFFMKICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-7-8-9-10-11-12-13-14(3,6-2)15-4/h5-13H2,1-4H3.
What are the key properties of 3-methoxy-3-methyldodecane?
3-methoxy-3-methyldodecane has a molecular weight of 214.39 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyldodecane is sourced from PubChem (CID 150409844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).