3-methoxy-2,2-dimethylbutane

C7H16O — CID 13316161

IUPAC3-methoxy-2,2-dimethylbutane
SMILESCOC(C)C(C)(C)C
InChIInChI=1S/C7H16O/c1-6(8-5)7(2,3)4/h6H,1-5H3
InChIKeyGLSPZOVVXNTNTN-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.07
Rot. Bonds1

About 3-methoxy-2,2-dimethylbutane

3-methoxy-2,2-dimethylbutane (PubChem CID 13316161) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylbutane.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylbutane
PubChem CID13316161
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name3-methoxy-2,2-dimethylbutane
SMILESCOC(C)C(C)(C)C
InChIInChI=1S/C7H16O/c1-6(8-5)7(2,3)4/h6H,1-5H3
InChIKeyGLSPZOVVXNTNTN-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylbutane?
The IUPAC name of 3-methoxy-2,2-dimethylbutane (CID 13316161) is 3-methoxy-2,2-dimethylbutane.
What is the SMILES notation for 3-methoxy-2,2-dimethylbutane?
The canonical SMILES for 3-methoxy-2,2-dimethylbutane is COC(C)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethylbutane?
The InChIKey is GLSPZOVVXNTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-6(8-5)7(2,3)4/h6H,1-5H3.
What are the key properties of 3-methoxy-2,2-dimethylbutane?
3-methoxy-2,2-dimethylbutane has a molecular weight of 116.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylbutane is sourced from PubChem (CID 13316161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).