methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate

C8H14O4 — CID 178200449

IUPACmethyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(OC)CC(CO)C1
InChIInChI=1S/C8H14O4/c1-11-7(10)8(12-2)3-6(4-8)5-9/h6,9H,3-5H2,1-2H3
InChIKeyXRYSVIJLOXGWRS-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.05
Rot. Bonds3

About methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate

methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate (PubChem CID 178200449) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
PubChem CID178200449
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(OC)CC(CO)C1
InChIInChI=1S/C8H14O4/c1-11-7(10)8(12-2)3-6(4-8)5-9/h6,9H,3-5H2,1-2H3
InChIKeyXRYSVIJLOXGWRS-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
bis[4-(hydroxymethyl)-1-methoxycyclohexyl]methanone
CID 174821338
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
ethyl 3-iodo-1-methoxycyclobutane-1-carboxylate
CID 130422583
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 10796998
3-amino-1-methoxycyclobutane-1-carboxamide
CID 142554999
methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate
CID 90016982
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996
dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
CID 58243403

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate (CID 178200449) is methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate is COC(=O)C1(OC)CC(CO)C1.
What is the InChIKey of methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate?
The InChIKey is XRYSVIJLOXGWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-7(10)8(12-2)3-6(4-8)5-9/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate?
methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate has a molecular weight of 174.20 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate is sourced from PubChem (CID 178200449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).