2-methoxy-1,1-dimethylcyclobutane

C7H14O — CID 58806257

IUPAC2-methoxy-1,1-dimethylcyclobutane
SMILESCOC1CCC1(C)C
InChIInChI=1S/C7H14O/c1-7(2)5-4-6(7)8-3/h6H,4-5H2,1-3H3
InChIKeyNWLSQNZVZDXMPC-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds1

About 2-methoxy-1,1-dimethylcyclobutane

2-methoxy-1,1-dimethylcyclobutane (PubChem CID 58806257) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-methoxy-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name2-methoxy-1,1-dimethylcyclobutane
PubChem CID58806257
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-methoxy-1,1-dimethylcyclobutane
SMILESCOC1CCC1(C)C
InChIInChI=1S/C7H14O/c1-7(2)5-4-6(7)8-3/h6H,4-5H2,1-3H3
InChIKeyNWLSQNZVZDXMPC-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,1-dimethylcyclobutane?
The IUPAC name of 2-methoxy-1,1-dimethylcyclobutane (CID 58806257) is 2-methoxy-1,1-dimethylcyclobutane.
What is the SMILES notation for 2-methoxy-1,1-dimethylcyclobutane?
The canonical SMILES for 2-methoxy-1,1-dimethylcyclobutane is COC1CCC1(C)C.
What is the InChIKey of 2-methoxy-1,1-dimethylcyclobutane?
The InChIKey is NWLSQNZVZDXMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)5-4-6(7)8-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-1,1-dimethylcyclobutane?
2-methoxy-1,1-dimethylcyclobutane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,1-dimethylcyclobutane is sourced from PubChem (CID 58806257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).