methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

C7H12O3 — CID 57478432

IUPACmethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CO)CCC1
InChIInChI=1S/C7H12O3/c1-10-6(9)7(5-8)3-2-4-7/h8H,2-5H2,1H3
InChIKeyVCGQWVIOCHFYDL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds2

About methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate (PubChem CID 57478432) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
PubChem CID57478432
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CO)CCC1
InChIInChI=1S/C7H12O3/c1-10-6(9)7(5-8)3-2-4-7/h8H,2-5H2,1H3
InChIKeyVCGQWVIOCHFYDL-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(hydroxymethyl)-2-methylbutanoate
CID 14093550
methyl (3S)-3-hydroxy-4,4-dimethylpentanoate
CID 13078179
1-(Ethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 10559105
Ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 15670506
2-(Hydroxymethyl)-2-methylpentanoic acid
CID 22728744
1-(Methoxymethyl)cyclobutane-1-carboxylic acid
CID 29893137
1-(Hydroxymethyl)cyclobutane-1-carboxylic acid
CID 57596060
1-(1-Hydroxypropyl)cyclobutane-1-carboxylic acid
CID 67973195
3,3-Difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylic acid
CID 117827979
2-(Hydroxymethyl)pentanoic acid
CID 17975089
1-[(Propan-2-yloxy)methyl]cyclobutane-1-carboxylic acid
CID 97033937
1-(Methoxymethyl)-3-methylcyclobutane-1-carboxylic acid
CID 120999965

Frequently Asked Questions

What is the IUPAC name of methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate (CID 57478432) is methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate is COC(=O)C1(CO)CCC1.
What is the InChIKey of methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
The InChIKey is VCGQWVIOCHFYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-6(9)7(5-8)3-2-4-7/h8H,2-5H2,1H3.
What are the key properties of methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 57478432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).