dimethyl (Z)-2-butyl-3-methylbut-2-enedioate

C11H18O4 — CID 88510267

IUPACdimethyl (Z)-2-butyl-3-methylbut-2-enedioate
SMILESCCCC/C(C(=O)OC)=C(\C)C(=O)OC
InChIInChI=1S/C11H18O4/c1-5-6-7-9(11(13)15-4)8(2)10(12)14-3/h5-7H2,1-4H3/b9-8-
InChIKeyOVVUKZDKNSEYLB-HJWRWDBZSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds5

About dimethyl (Z)-2-butyl-3-methylbut-2-enedioate

dimethyl (Z)-2-butyl-3-methylbut-2-enedioate (PubChem CID 88510267) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is dimethyl (Z)-2-butyl-3-methylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-butyl-3-methylbut-2-enedioate
PubChem CID88510267
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namedimethyl (Z)-2-butyl-3-methylbut-2-enedioate
SMILESCCCC/C(C(=O)OC)=C(\C)C(=O)OC
InChIInChI=1S/C11H18O4/c1-5-6-7-9(11(13)15-4)8(2)10(12)14-3/h5-7H2,1-4H3/b9-8-
InChIKeyOVVUKZDKNSEYLB-HJWRWDBZSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
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

dimethyl (Z)-2-dodecyl-3-methylbut-2-enedioate
CID 10853599
methyl 2-(1-aminoethylidene)hexanoate
CID 173062965
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate
CID 102509976
dimethyl (Z)-2-pentyl-3-propylbut-2-enedioate
CID 88550023
dimethyl 2-ethyl-3-heptylbut-2-enedioate
CID 123502335
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
dimethyl 2-decyl-3-ethylbut-2-enedioate
CID 123185855
dimethyl 2,3-dipropylbut-2-enedioate
CID 86118404
azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
ethyl 2-propan-2-ylidenehexanoate
CID 12572598

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-butyl-3-methylbut-2-enedioate?
The IUPAC name of dimethyl (Z)-2-butyl-3-methylbut-2-enedioate (CID 88510267) is dimethyl (Z)-2-butyl-3-methylbut-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-butyl-3-methylbut-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-butyl-3-methylbut-2-enedioate is CCCC/C(C(=O)OC)=C(\C)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-butyl-3-methylbut-2-enedioate?
The InChIKey is OVVUKZDKNSEYLB-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-6-7-9(11(13)15-4)8(2)10(12)14-3/h5-7H2,1-4H3/b9-8-.
What are the key properties of dimethyl (Z)-2-butyl-3-methylbut-2-enedioate?
dimethyl (Z)-2-butyl-3-methylbut-2-enedioate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-butyl-3-methylbut-2-enedioate is sourced from PubChem (CID 88510267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).