dibutyl 2-prop-2-enylbutanedioate

C15H26O4 — CID 13194779

IUPACdibutyl 2-prop-2-enylbutanedioate
SMILESC=CCC(CC(=O)OCCCC)C(=O)OCCCC
InChIInChI=1S/C15H26O4/c1-4-7-10-18-14(16)12-13(9-6-3)15(17)19-11-8-5-2/h6,13H,3-5,7-12H2,1-2H3
InChIKeyHHKYDCVVAKOSID-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.26
Rot. Bonds11

About dibutyl 2-prop-2-enylbutanedioate

dibutyl 2-prop-2-enylbutanedioate (PubChem CID 13194779) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dibutyl 2-prop-2-enylbutanedioate.

Molecular Properties

Compound Namedibutyl 2-prop-2-enylbutanedioate
PubChem CID13194779
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedibutyl 2-prop-2-enylbutanedioate
SMILESC=CCC(CC(=O)OCCCC)C(=O)OCCCC
InChIInChI=1S/C15H26O4/c1-4-7-10-18-14(16)12-13(9-6-3)15(17)19-11-8-5-2/h6,13H,3-5,7-12H2,1-2H3
InChIKeyHHKYDCVVAKOSID-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dihexyl 2-ethylbutanedioate
CID 138539583
butyl 3-prop-2-enoyloxybutanoate
CID 90254320
tris(octadec-9-enyl) propane-1,2,3-tricarboxylate
CID 57200988
nonyl 2-methylpent-4-enoate
CID 91695095
1-O-hexyl 10-O-pent-4-en-2-yl decanedioate
CID 91729319
1-O-octyl 6-O-pent-4-en-2-yl hexanedioate
CID 91713336
butyl 2-butylhexanoate;stannane
CID 172996715
dibutyl 2-octyldecanedioate
CID 126512555
dioctadecyl 2-(octadecylsulfanylmethyl)butanedioate
CID 154158253
didodecyl 2-(dodecylsulfanylmethyl)butanedioate
CID 154108152
3-O-heptadeca-8,11-dienyl 2-O-heptadec-8-enyl 1-O-pentadecyl propane-1,2,3-tricarboxylate
CID 5239431
dibutyl 2-bromobutanedioate
CID 45116964

Frequently Asked Questions

What is the IUPAC name of dibutyl 2-prop-2-enylbutanedioate?
The IUPAC name of dibutyl 2-prop-2-enylbutanedioate (CID 13194779) is dibutyl 2-prop-2-enylbutanedioate.
What is the SMILES notation for dibutyl 2-prop-2-enylbutanedioate?
The canonical SMILES for dibutyl 2-prop-2-enylbutanedioate is C=CCC(CC(=O)OCCCC)C(=O)OCCCC.
What is the InChIKey of dibutyl 2-prop-2-enylbutanedioate?
The InChIKey is HHKYDCVVAKOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-7-10-18-14(16)12-13(9-6-3)15(17)19-11-8-5-2/h6,13H,3-5,7-12H2,1-2H3.
What are the key properties of dibutyl 2-prop-2-enylbutanedioate?
dibutyl 2-prop-2-enylbutanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl 2-prop-2-enylbutanedioate is sourced from PubChem (CID 13194779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).