methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate

C10H16O4 — CID 131858896

IUPACmethyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C=C[C@H](C)C1(OC)OC
InChIInChI=1S/C10H16O4/c1-7-5-6-8(9(11)12-2)10(7,13-3)14-4/h5-8H,1-4H3/t7-,8-/m0/s1
InChIKeyUUMAKNNCYRCGQR-YUMQZZPRSA-N
MW200.23 g/mol
LogP0.97
Rot. Bonds3

About methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate

methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate (PubChem CID 131858896) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate
PubChem CID131858896
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C=C[C@H](C)C1(OC)OC
InChIInChI=1S/C10H16O4/c1-7-5-6-8(9(11)12-2)10(7,13-3)14-4/h5-8H,1-4H3/t7-,8-/m0/s1
InChIKeyUUMAKNNCYRCGQR-YUMQZZPRSA-N
XLogP0.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359
methyl 4,5-dimethylcyclohex-2-ene-1-carboxylate
CID 58517086
dimethyl 1-methoxy-4-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 142765234
dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
CID 58517083
methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate
CID 102415899
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910
methyl 4,6-dimethoxy-6-prop-1-en-2-ylcyclohexa-2,4-diene-1-carboxylate
CID 66681803
methyl 9,9-dimethoxybicyclo[3.3.1]nonane-3-carboxylate
CID 90810756
tetramethyl (1R,2S,3S,4S,5S,6S,7R,8S)-tricyclo[4.2.2.02,5]dec-9-ene-3,4,7,8-tetracarboxylate
CID 129426302
methyl (3R,6S)-6-methyl-1,2,3,6-tetrahydropyridazine-3-carboxylate
CID 93495293
methyl (3S,6S)-6-methyl-1,2,3,6-tetrahydropyridazine-3-carboxylate
CID 93495295

Frequently Asked Questions

What is the IUPAC name of methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate (CID 131858896) is methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate is COC(=O)[C@@H]1C=C[C@H](C)C1(OC)OC.
What is the InChIKey of methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is UUMAKNNCYRCGQR-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-5-6-8(9(11)12-2)10(7,13-3)14-4/h5-8H,1-4H3/t7-,8-/m0/s1.
What are the key properties of methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate?
methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4S)-5,5-dimethoxy-4-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 131858896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).