1-methoxy-2,2-dimethylpropane

C18H42O3 — CID 160639316

IUPAC1-methoxy-2,2-dimethylpropane
SMILESCOCC(C)(C)C.COCC(C)(C)C.COCC(C)(C)C
InChIInChI=1S/3C6H14O/c3*1-6(2,3)5-7-4/h3*5H2,1-4H3
InChIKeyRIYQDIAQWQAOTL-UHFFFAOYSA-N
MW306.53 g/mol
LogP5.04
Rot. Bonds3

About 1-methoxy-2,2-dimethylpropane

1-methoxy-2,2-dimethylpropane (PubChem CID 160639316) has the molecular formula C18H42O3 and a molecular weight of 306.53 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-methoxy-2,2-dimethylpropane
PubChem CID160639316
Molecular FormulaC18H42O3
Molecular Weight306.53 g/mol
Exact Mass306.31
IUPAC Name1-methoxy-2,2-dimethylpropane
SMILESCOCC(C)(C)C.COCC(C)(C)C.COCC(C)(C)C
InChIInChI=1S/3C6H14O/c3*1-6(2,3)5-7-4/h3*5H2,1-4H3
InChIKeyRIYQDIAQWQAOTL-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethylpropane?
The IUPAC name of 1-methoxy-2,2-dimethylpropane (CID 160639316) is 1-methoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-methoxy-2,2-dimethylpropane?
The canonical SMILES for 1-methoxy-2,2-dimethylpropane is COCC(C)(C)C.COCC(C)(C)C.COCC(C)(C)C.
What is the InChIKey of 1-methoxy-2,2-dimethylpropane?
The InChIKey is RIYQDIAQWQAOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14O/c3*1-6(2,3)5-7-4/h3*5H2,1-4H3.
What are the key properties of 1-methoxy-2,2-dimethylpropane?
1-methoxy-2,2-dimethylpropane has a molecular weight of 306.53 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 160639316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).