dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate

C15H26O4 — CID 88549607

IUPACdipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate
SMILESCCCOC(=O)/C(C)=C(/CC(C)C)C(=O)OCCC
InChIInChI=1S/C15H26O4/c1-6-8-18-14(16)12(5)13(10-11(3)4)15(17)19-9-7-2/h11H,6-10H2,1-5H3/b13-12-
InChIKeyPXTUKFVYJBBGCO-SEYXRHQNSA-N
MW270.37 g/mol
LogP3.26
Rot. Bonds8

About dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate

dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate (PubChem CID 88549607) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate.

Molecular Properties

Compound Namedipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate
PubChem CID88549607
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate
SMILESCCCOC(=O)/C(C)=C(/CC(C)C)C(=O)OCCC
InChIInChI=1S/C15H26O4/c1-6-8-18-14(16)12(5)13(10-11(3)4)15(17)19-9-7-2/h11H,6-10H2,1-5H3/b13-12-
InChIKeyPXTUKFVYJBBGCO-SEYXRHQNSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dipropyl 2,3-bis(2-methylpropyl)but-2-enedioate
CID 123952538
dipropyl 2-(2-methylpropyl)-3-propan-2-ylbut-2-enedioate
CID 123645482
dibutyl (Z)-2-(2-methylpropyl)-3-propan-2-ylbut-2-enedioate
CID 88549827
dibutyl (Z)-2-butyl-3-(2-methylpropyl)but-2-enedioate
CID 88549392
dibutyl 2-ethyl-3-methylbut-2-enedioate
CID 123808733
dioctyl 2-(2-methylpropyl)-3-propylbut-2-enedioate
CID 173381306
dioctyl 2-methyl-3-octylbut-2-enedioate
CID 173381297
3-(1-oxo-1-propoxypropan-2-ylidene)pentanedioic acid
CID 174188784
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
dipropyl (Z)-2-pentyl-3-propan-2-ylbut-2-enedioate
CID 88549482
diethyl 2-(2-methylpropyl)-3-pentylbut-2-enedioate
CID 123724979
bis(3-methylbutyl) (Z)-2,3-diethylbut-2-enedioate
CID 174863157

Frequently Asked Questions

What is the IUPAC name of dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate?
The IUPAC name of dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate (CID 88549607) is dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate.
What is the SMILES notation for dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate?
The canonical SMILES for dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate is CCCOC(=O)/C(C)=C(/CC(C)C)C(=O)OCCC.
What is the InChIKey of dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate?
The InChIKey is PXTUKFVYJBBGCO-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H26O4/c1-6-8-18-14(16)12(5)13(10-11(3)4)15(17)19-9-7-2/h11H,6-10H2,1-5H3/b13-12-.
What are the key properties of dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate?
dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate has a molecular weight of 270.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (Z)-2-methyl-3-(2-methylpropyl)but-2-enedioate is sourced from PubChem (CID 88549607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).