bis(2-methylpropyl) 2-cyclopropylbutanedioate

C15H26O4 — CID 22241855

IUPACbis(2-methylpropyl) 2-cyclopropylbutanedioate
SMILESCC(C)COC(=O)CC(C(=O)OCC(C)C)C1CC1
InChIInChI=1S/C15H26O4/c1-10(2)8-18-14(16)7-13(12-5-6-12)15(17)19-9-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyNKUQLJXKUPCQCT-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.80
Rot. Bonds8

About bis(2-methylpropyl) 2-cyclopropylbutanedioate

bis(2-methylpropyl) 2-cyclopropylbutanedioate (PubChem CID 22241855) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is bis(2-methylpropyl) 2-cyclopropylbutanedioate.

Molecular Properties

Compound Namebis(2-methylpropyl) 2-cyclopropylbutanedioate
PubChem CID22241855
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namebis(2-methylpropyl) 2-cyclopropylbutanedioate
SMILESCC(C)COC(=O)CC(C(=O)OCC(C)C)C1CC1
InChIInChI=1S/C15H26O4/c1-10(2)8-18-14(16)7-13(12-5-6-12)15(17)19-9-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyNKUQLJXKUPCQCT-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) 2-cyclopropylbutanedioate?
The IUPAC name of bis(2-methylpropyl) 2-cyclopropylbutanedioate (CID 22241855) is bis(2-methylpropyl) 2-cyclopropylbutanedioate.
What is the SMILES notation for bis(2-methylpropyl) 2-cyclopropylbutanedioate?
The canonical SMILES for bis(2-methylpropyl) 2-cyclopropylbutanedioate is CC(C)COC(=O)CC(C(=O)OCC(C)C)C1CC1.
What is the InChIKey of bis(2-methylpropyl) 2-cyclopropylbutanedioate?
The InChIKey is NKUQLJXKUPCQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)8-18-14(16)7-13(12-5-6-12)15(17)19-9-11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of bis(2-methylpropyl) 2-cyclopropylbutanedioate?
bis(2-methylpropyl) 2-cyclopropylbutanedioate has a molecular weight of 270.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) 2-cyclopropylbutanedioate is sourced from PubChem (CID 22241855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).