2-methyl-1-(oxan-4-yl)cyclobutan-1-ol

C10H18O2 — CID 130555054

IUPAC2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
SMILESCC1CCC1(O)C1CCOCC1
InChIInChI=1S/C10H18O2/c1-8-2-5-10(8,11)9-3-6-12-7-4-9/h8-9,11H,2-7H2,1H3
InChIKeyCVYDOAVPXSMYOP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds1

About 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol

2-methyl-1-(oxan-4-yl)cyclobutan-1-ol (PubChem CID 130555054) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
PubChem CID130555054
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
SMILESCC1CCC1(O)C1CCOCC1
InChIInChI=1S/C10H18O2/c1-8-2-5-10(8,11)9-3-6-12-7-4-9/h8-9,11H,2-7H2,1H3
InChIKeyCVYDOAVPXSMYOP-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol?
The IUPAC name of 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol (CID 130555054) is 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol is CC1CCC1(O)C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol?
The InChIKey is CVYDOAVPXSMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-2-5-10(8,11)9-3-6-12-7-4-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol?
2-methyl-1-(oxan-4-yl)cyclobutan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)cyclobutan-1-ol is sourced from PubChem (CID 130555054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).