3-methoxy-2,2-dimethylcyclobutan-1-ol

C7H14O2 — CID 66366890

IUPAC3-methoxy-2,2-dimethylcyclobutan-1-ol
SMILESCOC1CC(O)C1(C)C
InChIInChI=1S/C7H14O2/c1-7(2)5(8)4-6(7)9-3/h5-6,8H,4H2,1-3H3
InChIKeyKPEQWKNUQXHLHA-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About 3-methoxy-2,2-dimethylcyclobutan-1-ol

3-methoxy-2,2-dimethylcyclobutan-1-ol (PubChem CID 66366890) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylcyclobutan-1-ol
PubChem CID66366890
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-methoxy-2,2-dimethylcyclobutan-1-ol
SMILESCOC1CC(O)C1(C)C
InChIInChI=1S/C7H14O2/c1-7(2)5(8)4-6(7)9-3/h5-6,8H,4H2,1-3H3
InChIKeyKPEQWKNUQXHLHA-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-methoxy-2,2-dimethylcyclobutan-1-ol (CID 66366890) is 3-methoxy-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-methoxy-2,2-dimethylcyclobutan-1-ol is COC1CC(O)C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethylcyclobutan-1-ol?
The InChIKey is KPEQWKNUQXHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)5(8)4-6(7)9-3/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethylcyclobutan-1-ol?
3-methoxy-2,2-dimethylcyclobutan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 66366890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).