3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol

C10H20O2 — CID 106823575

IUPAC3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol
SMILESCOC1CC(O)(CCC(C)C)C1
InChIInChI=1S/C10H20O2/c1-8(2)4-5-10(11)6-9(7-10)12-3/h8-9,11H,4-7H2,1-3H3
InChIKeyNZBZOIZIRCYJBE-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds4

About 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol

3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol (PubChem CID 106823575) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol
PubChem CID106823575
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol
SMILESCOC1CC(O)(CCC(C)C)C1
InChIInChI=1S/C10H20O2/c1-8(2)4-5-10(11)6-9(7-10)12-3/h8-9,11H,4-7H2,1-3H3
InChIKeyNZBZOIZIRCYJBE-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
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-methylbutyl)cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol (CID 106823575) is 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol is COC1CC(O)(CCC(C)C)C1.
What is the InChIKey of 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol?
The InChIKey is NZBZOIZIRCYJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)4-5-10(11)6-9(7-10)12-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol?
3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol is sourced from PubChem (CID 106823575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).