ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

C15H24O4 — CID 15189596

IUPACditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C15H24O4/c1-13(2,3)18-11(16)9-10(15(9,7)8)12(17)19-14(4,5)6/h1-8H3
InChIKeyHRYOUQJZILJQDD-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.01
Rot. Bonds2

About ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 15189596) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID15189596
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C15H24O4/c1-13(2,3)18-11(16)9-10(15(9,7)8)12(17)19-14(4,5)6/h1-8H3
InChIKeyHRYOUQJZILJQDD-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11745884
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
Tert-butyl 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 58230232
3-(4-Methyl-2,5-dioxofuran-3-yl)propanoyl 2,2-dimethylpropanoate
CID 124001336
2-O-(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10859024
Bis(3-methoxy-2,2-dimethyl-3-oxopropyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10915984
Bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10946265
2-O-[(2S)-1-methoxy-1-oxopropan-2-yl] 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10967090
2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10998750

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 15189596) is ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is CC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is HRYOUQJZILJQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-13(2,3)18-11(16)9-10(15(9,7)8)12(17)19-14(4,5)6/h1-8H3.
What are the key properties of ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 268.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 15189596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).