diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate

C19H30O5 — CID 101161333

IUPACdiethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate
SMILESC=C1C(C)(C)OC(C2CCCCC2)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H30O5/c1-6-22-16(20)19(17(21)23-7-2)13(3)18(4,5)24-15(19)14-11-9-8-10-12-14/h14-15H,3,6-12H2,1-2,4-5H3
InChIKeyQCMCRFQWZKJBCG-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.41
Rot. Bonds5

About diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate

diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate (PubChem CID 101161333) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate
PubChem CID101161333
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Namediethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate
SMILESC=C1C(C)(C)OC(C2CCCCC2)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H30O5/c1-6-22-16(20)19(17(21)23-7-2)13(3)18(4,5)24-15(19)14-11-9-8-10-12-14/h14-15H,3,6-12H2,1-2,4-5H3
InChIKeyQCMCRFQWZKJBCG-UHFFFAOYSA-N
XLogP3.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl (2R,3S)-3-hydroxy-2-methyloxepane-2-carboxylate
CID 122224173
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
ethyl (4aR,8aR)-2-methyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazine-2-carboxylate
CID 131720887
diethyl 1,2-dimethyl-4-methylidenepyrrolidine-3,3-dicarboxylate
CID 15429881
ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate
CID 174606518
ethyl (2R,3R)-1-benzhydryl-3-cyclohexyl-2-methylaziridine-2-carboxylate
CID 135014180
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
CID 155893446
diethyl 5-methylidenebicyclo[4.1.0]heptane-3,3-dicarboxylate
CID 177420023
ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate
CID 10925446
ethyl 3-methylidene-2-oxo-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylate
CID 72833340

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate?
The IUPAC name of diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate (CID 101161333) is diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate.
What is the SMILES notation for diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate?
The canonical SMILES for diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate is C=C1C(C)(C)OC(C2CCCCC2)C1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate?
The InChIKey is QCMCRFQWZKJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-6-22-16(20)19(17(21)23-7-2)13(3)18(4,5)24-15(19)14-11-9-8-10-12-14/h14-15H,3,6-12H2,1-2,4-5H3.
What are the key properties of diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate?
diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate has a molecular weight of 338.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate is sourced from PubChem (CID 101161333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).