trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate

C10H14O6 — CID 134947829

IUPACtrans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate
SMILESCOC(=O)COC(=O)[C@@H]1C[C@@]1(C)C(=O)OC
InChIInChI=1S/C10H14O6/c1-10(9(13)15-3)4-6(10)8(12)16-5-7(11)14-2/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKeyUBFCQVJBGRSHSI-QUBYGPBYSA-N
MW230.22 g/mol
LogP-0.10
Rot. Bonds4

About trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate

trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate (PubChem CID 134947829) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate
PubChem CID134947829
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Nametrans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate
SMILESCOC(=O)COC(=O)[C@@H]1C[C@@]1(C)C(=O)OC
InChIInChI=1S/C10H14O6/c1-10(9(13)15-3)4-6(10)8(12)16-5-7(11)14-2/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKeyUBFCQVJBGRSHSI-QUBYGPBYSA-N
XLogP-0.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
methyl 2-ethoxy-1-methylcyclopropane-1-carboxylate
CID 13207562
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
CID 102304411
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
CID 144808993
cis-methyl (1R,2R)-2-(3-methoxy-3-oxopropyl)-1,3,3-trimethylcyclohexane-1-carboxylate
CID 10945512
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014

Frequently Asked Questions

What is the IUPAC name of trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate?
The IUPAC name of trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate (CID 134947829) is trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate.
What is the SMILES notation for trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate?
The canonical SMILES for trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate is COC(=O)COC(=O)[C@@H]1C[C@@]1(C)C(=O)OC.
What is the InChIKey of trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate?
The InChIKey is UBFCQVJBGRSHSI-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H14O6/c1-10(9(13)15-3)4-6(10)8(12)16-5-7(11)14-2/h6H,4-5H2,1-3H3/t6-,10+/m0/s1.
What are the key properties of trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate?
trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate has a molecular weight of 230.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 134947829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).