methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate

C10H14O3 — CID 6711565

IUPACmethyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate
SMILESC=CC1=CC(C)C[C@]1(O)C(=O)OC
InChIInChI=1S/C10H14O3/c1-4-8-5-7(2)6-10(8,12)9(11)13-3/h4-5,7,12H,1,6H2,2-3H3/t7?,10-/m1/s1
InChIKeyVTWHZNAOMGGMOV-OMNKOJBGSA-N
MW182.22 g/mol
LogP1.04
Rot. Bonds2

About methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate

methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate (PubChem CID 6711565) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate
PubChem CID6711565
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate
SMILESC=CC1=CC(C)C[C@]1(O)C(=O)OC
InChIInChI=1S/C10H14O3/c1-4-8-5-7(2)6-10(8,12)9(11)13-3/h4-5,7,12H,1,6H2,2-3H3/t7?,10-/m1/s1
InChIKeyVTWHZNAOMGGMOV-OMNKOJBGSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate (CID 6711565) is methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate is C=CC1=CC(C)C[C@]1(O)C(=O)OC.
What is the InChIKey of methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is VTWHZNAOMGGMOV-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-5-7(2)6-10(8,12)9(11)13-3/h4-5,7,12H,1,6H2,2-3H3/t7?,10-/m1/s1.
What are the key properties of methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate?
methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2-ethenyl-1-hydroxy-4-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 6711565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).