methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate

C9H14O4 — CID 13194898

IUPACmethyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(OC)CCC1CO
InChIInChI=1S/C9H14O4/c1-12-7-4-3-6(5-10)8(7)9(11)13-2/h6,10H,3-5H2,1-2H3
InChIKeyUEAFRDDPFPBNHA-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.46
Rot. Bonds3

About methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate

methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate (PubChem CID 13194898) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate
PubChem CID13194898
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(OC)CCC1CO
InChIInChI=1S/C9H14O4/c1-12-7-4-3-6(5-10)8(7)9(11)13-2/h6,10H,3-5H2,1-2H3
InChIKeyUEAFRDDPFPBNHA-UHFFFAOYSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate
CID 155536107
dimethyl (1S,4R)-4-hydroxy-3-methylcyclopent-2-ene-1,2-dicarboxylate
CID 101904142
dimethyl (3aR,6aR)-2,5-dihydroxy-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate
CID 54683263
Dimethyl 2,5-dihydroxy-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate
CID 76170102
5-(Hydroxymethyl)-2-methoxycyclopentene-1-carboxylic acid
CID 20556728
dimethyl (3aS,6aS)-2,5-dihydroxy-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate
CID 54712109
4-Hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid
CID 59165430
(5S)-5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylic acid
CID 70568727
Propyl 4-hydroxy-3-(1-hydroxypropyl)-2-propan-2-ylidenehexanoate
CID 91286903
Methyl 3-hydroxy-5-(1-methoxyethenyl)cyclopentene-1-carboxylate
CID 130214680
methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate
CID 142956918
4-Methoxycarbonyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-carboxylic acid
CID 166974533

Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate (CID 13194898) is methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate is COC(=O)C1=C(OC)CCC1CO.
What is the InChIKey of methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate?
The InChIKey is UEAFRDDPFPBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-12-7-4-3-6(5-10)8(7)9(11)13-2/h6,10H,3-5H2,1-2H3.
What are the key properties of methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate?
methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate is sourced from PubChem (CID 13194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).