methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate

C8H12O3 — CID 142956918

IUPACmethyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(O)C[C@H](C)C1
InChIInChI=1S/C8H12O3/c1-5-3-6(7(9)4-5)8(10)11-2/h5,9H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJKXBSPILNWWMCI-RXMQYKEDSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds1

About methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate

methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate (PubChem CID 142956918) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate
PubChem CID142956918
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(O)C[C@H](C)C1
InChIInChI=1S/C8H12O3/c1-5-3-6(7(9)4-5)8(10)11-2/h5,9H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJKXBSPILNWWMCI-RXMQYKEDSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

InChI=1/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H
CID 54706345
Methyl 2-hydroxycyclopent-1-ene-1-carboxylate
CID 58773932
Ethyl 2-hydroxycyclopentene-1-carboxylate
CID 59651655
2-Methoxycarbonylcyclopenten-1-olate
CID 134880782
Methyl 5-methylcyclopentene-1-carboxylate
CID 11194382
methyl (4S)-4-methylcyclopentene-1-carboxylate
CID 14705470
Methyl 5-ethylcyclopent-1-ene-1-carboxylate
CID 565660
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
methyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentenecarboxylate
CID 13194898
Methyl 4-methylcyclopentene-1-carboxylate
CID 14705469
Methyl 2,5-dimethylcyclopentene-1-carboxylate
CID 19823581

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate?
The IUPAC name of methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate (CID 142956918) is methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate is COC(=O)C1=C(O)C[C@H](C)C1.
What is the InChIKey of methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate?
The InChIKey is JKXBSPILNWWMCI-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-3-6(7(9)4-5)8(10)11-2/h5,9H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate?
methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 142956918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).