3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol

C10H20O2 — CID 130640761

IUPAC3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol
SMILESCOC1CC(O)(C(C)C(C)C)C1
InChIInChI=1S/C10H20O2/c1-7(2)8(3)10(11)5-9(6-10)12-4/h7-9,11H,5-6H2,1-4H3
InChIKeyHTAYGHHUAKLJEJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds3

About 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol

3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol (PubChem CID 130640761) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol
PubChem CID130640761
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol
SMILESCOC1CC(O)(C(C)C(C)C)C1
InChIInChI=1S/C10H20O2/c1-7(2)8(3)10(11)5-9(6-10)12-4/h7-9,11H,5-6H2,1-4H3
InChIKeyHTAYGHHUAKLJEJ-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol (CID 130640761) is 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol is COC1CC(O)(C(C)C(C)C)C1.
What is the InChIKey of 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol?
The InChIKey is HTAYGHHUAKLJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)8(3)10(11)5-9(6-10)12-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol?
3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 130640761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).