methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate

C10H14O4 — CID 130214680

IUPACmethyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate
SMILESC=C(OC)C1CC(O)C=C1C(=O)OC
InChIInChI=1S/C10H14O4/c1-6(13-2)8-4-7(11)5-9(8)10(12)14-3/h5,7-8,11H,1,4H2,2-3H3
InChIKeyQOJDMQKEXJMMNV-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.63
Rot. Bonds3

About methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate

methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate (PubChem CID 130214680) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate
PubChem CID130214680
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate
SMILESC=C(OC)C1CC(O)C=C1C(=O)OC
InChIInChI=1S/C10H14O4/c1-6(13-2)8-4-7(11)5-9(8)10(12)14-3/h5,7-8,11H,1,4H2,2-3H3
InChIKeyQOJDMQKEXJMMNV-UHFFFAOYSA-N
XLogP0.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(3aS,5R,6E,10Z,11aR)-5-hydroxy-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
CID 12039269
6Beta-Hydroxygenipin
CID 71577496
(4R,5E,8S,9S)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),5-dien-11-one
CID 155545452
(4S,5E,8S,9S)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),5-dien-11-one
CID 155565382
[(3aR,5S,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
CID 162643671
[(3aR,5R,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
CID 162646766
Pedicularislactone
CID 10888602
(3aS,5S,6E,10Z,11aR)-5-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 14312127
(3aS,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 163030325
4,5-Bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 85303656
(3aS,5S,6Z,10Z,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 101316961
5-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 163030323

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate (CID 130214680) is methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate is C=C(OC)C1CC(O)C=C1C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate?
The InChIKey is QOJDMQKEXJMMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(13-2)8-4-7(11)5-9(8)10(12)14-3/h5,7-8,11H,1,4H2,2-3H3.
What are the key properties of methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate?
methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 130214680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).