bis(3-methylbut-3-enyl) pentanedioate

C15H24O4 — CID 91694432

IUPACbis(3-methylbut-3-enyl) pentanedioate
SMILESC=C(C)CCOC(=O)CCCC(=O)OCCC(=C)C
InChIInChI=1S/C15H24O4/c1-12(2)8-10-18-14(16)6-5-7-15(17)19-11-9-13(3)4/h1,3,5-11H2,2,4H3
InChIKeyBOOKLIKJSLLJAB-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds10

About bis(3-methylbut-3-enyl) pentanedioate

bis(3-methylbut-3-enyl) pentanedioate (PubChem CID 91694432) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is bis(3-methylbut-3-enyl) pentanedioate.

Molecular Properties

Compound Namebis(3-methylbut-3-enyl) pentanedioate
PubChem CID91694432
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namebis(3-methylbut-3-enyl) pentanedioate
SMILESC=C(C)CCOC(=O)CCCC(=O)OCCC(=C)C
InChIInChI=1S/C15H24O4/c1-12(2)8-10-18-14(16)6-5-7-15(17)19-11-9-13(3)4/h1,3,5-11H2,2,4H3
InChIKeyBOOKLIKJSLLJAB-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diethyl 2-methylidenepentanedioate
CID 12200711
1,5-Dimethyl 3-methylidenepentanedioate
CID 13495590
(3-Fluoro-5-methoxy-5-oxopentyl) 4-methylpent-3-enoate
CID 154714542
(5-Acetyloxy-3-methylidenepentyl) acetate
CID 53675871
Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbut-3-en-1-yl ester
CID 91694488
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylbut-3-en-1-yl ester
CID 91694491
Adipic acid, ethyl 3-methylbut-3-enyl ester
CID 91694555
Glutaric acid, di(pent-4-enyl) ester
CID 91694556
Glutaric acid, ethyl 3-methylbut-3-enyl ester
CID 91694558
Glutaric acid, 3-methylbut-3-enyl propyl ester
CID 91694559
Glutaric acid, butyl 3-methylbut-3-enyl ester
CID 91694560
Glutaric acid, isohexyl 3-methylbut-3-enyl ester
CID 91694561

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbut-3-enyl) pentanedioate?
The IUPAC name of bis(3-methylbut-3-enyl) pentanedioate (CID 91694432) is bis(3-methylbut-3-enyl) pentanedioate.
What is the SMILES notation for bis(3-methylbut-3-enyl) pentanedioate?
The canonical SMILES for bis(3-methylbut-3-enyl) pentanedioate is C=C(C)CCOC(=O)CCCC(=O)OCCC(=C)C.
What is the InChIKey of bis(3-methylbut-3-enyl) pentanedioate?
The InChIKey is BOOKLIKJSLLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-12(2)8-10-18-14(16)6-5-7-15(17)19-11-9-13(3)4/h1,3,5-11H2,2,4H3.
What are the key properties of bis(3-methylbut-3-enyl) pentanedioate?
bis(3-methylbut-3-enyl) pentanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbut-3-enyl) pentanedioate is sourced from PubChem (CID 91694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).