1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate

C14H21NO6 — CID 134227319

IUPAC1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCC)C(=O)OCCOC(=O)NCC
InChIInChI=1S/C14H21NO6/c1-4-10-9-14(10,11(16)19-6-3)12(17)20-7-8-21-13(18)15-5-2/h4,10H,1,5-9H2,2-3H3,(H,15,18)
InChIKeyMKTBBQVERJRVQN-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.03
Rot. Bonds8

About 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate

1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 134227319) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID134227319
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCC)C(=O)OCCOC(=O)NCC
InChIInChI=1S/C14H21NO6/c1-4-10-9-14(10,11(16)19-6-3)12(17)20-7-8-21-13(18)15-5-2/h4,10H,1,5-9H2,2-3H3,(H,15,18)
InChIKeyMKTBBQVERJRVQN-UHFFFAOYSA-N
XLogP1.03
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-O-ethyl 1-O'-[2-(methoxycarbonylamino)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
CID 134240325
1-O'-[2-[[5-[2-(2-ethenyl-1-ethoxycarbonylcyclopropanecarbonyl)oxyethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethyl] 1-O-ethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 134240411
bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
CID 57266237
1-O-ethyl 1-O'-(2-phosphonooxyethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
CID 59027122
ethane-1,2-diol;2-ethenyl-1-ethoxycarbonylcyclopropane-1-carboxylic acid;1-O-ethyl 1-O'-(2-hydroxyethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
CID 159587669
(E)-1,4-dibromobut-2-ene;diethyl 2-ethenylcyclopropane-1,1-dicarboxylate;diethyl propanedioate;ethane
CID 161195875
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
benzyl-[2-(2-ethenyl-1-ethoxycarbonylcyclopropanecarbonyl)oxyethyl]-dimethylazanium chloride
CID 20504379
2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate
CID 134227320
ethyl 2-ethenyl-1-[[6-[(2-ethenyl-1-ethoxycarbonylcyclopropanecarbonyl)amino]-3,3,5-trimethylhexyl]carbamoyl]cyclopropane-1-carboxylate
CID 122379374
ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
CID 69120014
cis-ethyl (1R,2R)-1-(chloroamino)-2-ethenylcyclopropane-1-carboxylate
CID 87414825

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate (CID 134227319) is 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate is C=CC1CC1(C(=O)OCC)C(=O)OCCOC(=O)NCC.
What is the InChIKey of 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is MKTBBQVERJRVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6/c1-4-10-9-14(10,11(16)19-6-3)12(17)20-7-8-21-13(18)15-5-2/h4,10H,1,5-9H2,2-3H3,(H,15,18).
What are the key properties of 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 299.32 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 134227319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).