lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride

C10H16ClLiO2 — CID 139342927

IUPAClithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
SMILESCCOC(=O)C1CC(C)=C(C)C1.[Cl-].[Li+]
InChIInChI=1S/C10H16O2.ClH.Li/c1-4-12-10(11)9-5-7(2)8(3)6-9;;/h9H,4-6H2,1-3H3;1H;/q;;+1/p-1
InChIKeyNILWLZVYJGUQCY-UHFFFAOYSA-M
MW210.63 g/mol
LogP-3.70
Rot. Bonds2

About lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride

lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride (PubChem CID 139342927) has the molecular formula C10H16ClLiO2 and a molecular weight of 210.63 g/mol. Its IUPAC name is lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride.

Molecular Properties

Compound Namelithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
PubChem CID139342927
Molecular FormulaC10H16ClLiO2
Molecular Weight210.63 g/mol
Exact Mass210.10
IUPAC Namelithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
SMILESCCOC(=O)C1CC(C)=C(C)C1.[Cl-].[Li+]
InChIInChI=1S/C10H16O2.ClH.Li/c1-4-12-10(11)9-5-7(2)8(3)6-9;;/h9H,4-6H2,1-3H3;1H;/q;;+1/p-1
InChIKeyNILWLZVYJGUQCY-UHFFFAOYSA-M
XLogP-3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,6R)-6-ethoxycarbonyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 36691021
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diethyl cyclopentane-1,3-dicarboxylate
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ethyl 5-amino-6-iodo-2,3-dihydro-1H-indene-2-carboxylate
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ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
ethyl 4-(2,2-dimethylpropanoyl)-3,5-dioxocyclohexane-1-carboxylate
CID 21276347
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
[(3-ethoxycarbonylcyclobutylidene)amino]-methylcarbamic acid
CID 166694228
ethyl (1R)-3-oxocyclohexane-1-carboxylate
CID 6933063
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride?
The IUPAC name of lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride (CID 139342927) is lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride.
What is the SMILES notation for lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride?
The canonical SMILES for lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride is CCOC(=O)C1CC(C)=C(C)C1.[Cl-].[Li+].
What is the InChIKey of lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride?
The InChIKey is NILWLZVYJGUQCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O2.ClH.Li/c1-4-12-10(11)9-5-7(2)8(3)6-9;;/h9H,4-6H2,1-3H3;1H;/q;;+1/p-1.
What are the key properties of lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride?
lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride has a molecular weight of 210.63 g/mol, XLogP of -3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride is sourced from PubChem (CID 139342927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).