1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid

C12H20O3 — CID 116522822

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCC(CC2(C(=O)O)CCC2)O1
InChIInChI=1S/C12H20O3/c1-11(2)7-4-9(15-11)8-12(10(13)14)5-3-6-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyORSFBIQYLIHCIT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.59
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid

1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116522822) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116522822
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCC(CC2(C(=O)O)CCC2)O1
InChIInChI=1S/C12H20O3/c1-11(2)7-4-9(15-11)8-12(10(13)14)5-3-6-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyORSFBIQYLIHCIT-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 116525028
2-[(5,5-dimethyloxolan-2-yl)methyl]thiolane-2-carboxylic acid
CID 116525032
1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 116522769
5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
CID 116525208
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 116520999
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
3-(1-oxaspiro[4.5]decan-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 102899338
2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 116525014
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol
CID 116525051

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid (CID 116522822) is 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid is CC1(C)CCC(CC2(C(=O)O)CCC2)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ORSFBIQYLIHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(2)7-4-9(15-11)8-12(10(13)14)5-3-6-12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116522822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).