methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate

C8H10O3 — CID 130129749

IUPACmethyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate
SMILESCOC(=O)C1=CC(CO)C=C1
InChIInChI=1S/C8H10O3/c1-11-8(10)7-3-2-6(4-7)5-9/h2-4,6,9H,5H2,1H3
InChIKeyUGOHTHPFGCJICK-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.26
Rot. Bonds2

About methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate

methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate (PubChem CID 130129749) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate
PubChem CID130129749
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate
SMILESCOC(=O)C1=CC(CO)C=C1
InChIInChI=1S/C8H10O3/c1-11-8(10)7-3-2-6(4-7)5-9/h2-4,6,9H,5H2,1H3
InChIKeyUGOHTHPFGCJICK-UHFFFAOYSA-N
XLogP0.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-fluoro-3-hydroxycyclohexa-1,5-diene-1-carboxylate
CID 58566474
methyl 3-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carboxylate
CID 91354029
dimethyl cyclohexa-1,5-diene-1,3-dicarboxylate
CID 10584037
methyl 3-iodo-4-oxocyclohexa-1,5-diene-1-carboxylate
CID 141342979
methyl 3-formyl-5-methylcyclohepta-1,3,6-triene-1-carboxylate
CID 123984218
methyl 2-chloro-1,2-dihydropyridine-5-carboxylate
CID 138482360
methyl (3aR,7aS)-spiro[3a,7a-dihydro-1,3-benzodioxole-2,1'-cyclohexane]-5-carboxylate
CID 11230440
dimethyl (8aS)-1,8a-dihydronaphthalene-2,6-dicarboxylate
CID 89335512
methyl 6-hydroxy-7-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxylate
CID 123256683
dimethyl 3,6-dimethoxycyclohexa-1,4-diene-1,2-dicarboxylate
CID 15577366
methyl 4-hex-5-enylcyclohexa-1,5-diene-1-carboxylate
CID 23260133
dimethyl tetracyclo[4.2.2.22,5.01,6]dodeca-3,7,9,11-tetraene-3,4-dicarboxylate
CID 596148

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate?
The IUPAC name of methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate (CID 130129749) is methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate.
What is the SMILES notation for methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate?
The canonical SMILES for methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate is COC(=O)C1=CC(CO)C=C1.
What is the InChIKey of methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate?
The InChIKey is UGOHTHPFGCJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-11-8(10)7-3-2-6(4-7)5-9/h2-4,6,9H,5H2,1H3.
What are the key properties of methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate?
methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate is sourced from PubChem (CID 130129749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).