methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate

C10H14O5 — CID 24974331

IUPACmethyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate
SMILESCOC(=O)OC1=C(C(=O)OC)C(C)CC1
InChIInChI=1S/C10H14O5/c1-6-4-5-7(15-10(12)14-3)8(6)9(11)13-2/h6H,4-5H2,1-3H3
InChIKeyRNQONQPIOUTVKA-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.63
Rot. Bonds2

About methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate

methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate (PubChem CID 24974331) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate
PubChem CID24974331
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate
SMILESCOC(=O)OC1=C(C(=O)OC)C(C)CC1
InChIInChI=1S/C10H14O5/c1-6-4-5-7(15-10(12)14-3)8(6)9(11)13-2/h6H,4-5H2,1-3H3
InChIKeyRNQONQPIOUTVKA-UHFFFAOYSA-N
XLogP1.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-acetyloxycyclopentene-1-carboxylate
CID 12450292
ethyl (2Z)-2-[1-(methoxymethoxy)ethylidene]hexanoate
CID 134932836
Ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
CID 134986294
methyl 1,4-dimethyl-3-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-6-carboxylate
CID 135080197
methyl (5RS) 2-methoxy-5-formyl-1-cyclopentene-carboxylate
CID 13194899
Carboxy 2,3-diethylcyclopropene-1-carboxylate
CID 54505798
4-Methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one
CID 142081198
Methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate
CID 142636036
methyl (4R)-2-hydroxy-4-methylcyclopentene-1-carboxylate
CID 142956918
Ethyl 2-acetyloxycyclopentene-1-carboxylate
CID 12950273
Ethyl 2-methoxy-5-methyl-3-(2-methylpropyl)-2,3-dihydrofuran-4-carboxylate
CID 25100014
Sodium 2-methoxycarbonyl-5-methylcyclopenten-1-olate
CID 101143632

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate?
The IUPAC name of methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate (CID 24974331) is methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate is COC(=O)OC1=C(C(=O)OC)C(C)CC1.
What is the InChIKey of methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate?
The InChIKey is RNQONQPIOUTVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-4-5-7(15-10(12)14-3)8(6)9(11)13-2/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate?
methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxycarbonyloxy-5-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 24974331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).