tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate

C14H20O8 — CID 14740171

IUPACtetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(C(C)C)C1(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H20O8/c1-7(2)8-13(9(15)19-3,10(16)20-4)14(8,11(17)21-5)12(18)22-6/h7-8H,1-6H3
InChIKeyLRHMVXKORAPVNJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP-0.06
Rot. Bonds5

About tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate

tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate (PubChem CID 14740171) has the molecular formula C14H20O8 and a molecular weight of 316.31 g/mol. Its IUPAC name is tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate
PubChem CID14740171
Molecular FormulaC14H20O8
Molecular Weight316.31 g/mol
Exact Mass316.12
IUPAC Nametetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(C(C)C)C1(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H20O8/c1-7(2)8-13(9(15)19-3,10(16)20-4)14(8,11(17)21-5)12(18)22-6/h7-8H,1-6H3
InChIKeyLRHMVXKORAPVNJ-UHFFFAOYSA-N
XLogP-0.06
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (1R,2S,5R)-1-nitro-2-propan-2-ylbicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 102169085
trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531
methyl 1-(methylamino)-4-propan-2-ylcycloheptane-1-carboxylate
CID 65088968
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
dimethyl (2S,4R)-tetracyclo[3.2.0.02,7.04,6]heptane-1,6-dicarboxylate
CID 10727053
methyl 1-(2-methylpropanoyl)cyclopropane-1-carboxylate
CID 79554685
methyl prismane-1-carboxylate
CID 102022545
methyl 3-(2-methylpropanoyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 134296446
methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 178027632
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
methyl 1-propan-2-ylsulfanylcyclopropane-1-carboxylate
CID 117035118
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496

Frequently Asked Questions

What is the IUPAC name of tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate?
The IUPAC name of tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate (CID 14740171) is tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate is COC(=O)C1(C(=O)OC)C(C(C)C)C1(C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate?
The InChIKey is LRHMVXKORAPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O8/c1-7(2)8-13(9(15)19-3,10(16)20-4)14(8,11(17)21-5)12(18)22-6/h7-8H,1-6H3.
What are the key properties of tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate?
tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate has a molecular weight of 316.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 14740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).