3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid

C11H18O4 — CID 115028730

IUPAC3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
SMILESCC1(O)CC(C(=O)O)(C2CCCOC2)C1
InChIInChI=1S/C11H18O4/c1-10(14)6-11(7-10,9(12)13)8-3-2-4-15-5-8/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyRBFOOAQOPDMBCW-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.03
Rot. Bonds2

About 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid

3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 115028730) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
PubChem CID115028730
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
SMILESCC1(O)CC(C(=O)O)(C2CCCOC2)C1
InChIInChI=1S/C11H18O4/c1-10(14)6-11(7-10,9(12)13)8-3-2-4-15-5-8/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyRBFOOAQOPDMBCW-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid (CID 115028730) is 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid is CC1(O)CC(C(=O)O)(C2CCCOC2)C1.
What is the InChIKey of 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is RBFOOAQOPDMBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-10(14)6-11(7-10,9(12)13)8-3-2-4-15-5-8/h8,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).