methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate

C7H10O3 — CID 15579856

IUPACmethyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(O)(C(=O)OC)C1
InChIInChI=1S/C7H10O3/c1-5-3-7(9,4-5)6(8)10-2/h9H,1,3-4H2,2H3
InChIKeyPTIFEIBLJSONOJ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate

methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate (PubChem CID 15579856) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
PubChem CID15579856
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(O)(C(=O)OC)C1
InChIInChI=1S/C7H10O3/c1-5-3-7(9,4-5)6(8)10-2/h9H,1,3-4H2,2H3
InChIKeyPTIFEIBLJSONOJ-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 2733178
methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
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CID 62214662
methyl 1-hydroxy-3,3-dimethylcyclopentane-1-carboxylate
CID 80700288
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate
CID 101269003
methyl (2R)-2-hydroxy-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174267731
methyl 4,7-difluoro-2-hydroxy-5-nitro-1,3-dihydroindene-2-carboxylate
CID 167514643
1-(1-methyl-3-methylidenecyclobutyl)ethanone
CID 20614511
methyl 1-methyl-2-methylidene-5-oxocyclopentane-1-carboxylate
CID 15064856
methyl 1-hydroxy-3,4-dimethylcyclohexane-1-carboxylate
CID 64744701
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558

Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate?
The IUPAC name of methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate (CID 15579856) is methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate is C=C1CC(O)(C(=O)OC)C1.
What is the InChIKey of methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate?
The InChIKey is PTIFEIBLJSONOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-3-7(9,4-5)6(8)10-2/h9H,1,3-4H2,2H3.
What are the key properties of methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate?
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate is sourced from PubChem (CID 15579856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).