dibutyl but-2-enedioate;styrene

C20H28O4 — CID 70528436

IUPACdibutyl but-2-enedioate;styrene
SMILESC=Cc1ccccc1.CCCCOC(=O)C=CC(=O)OCCCC
InChIInChI=1S/C12H20O4.C8H8/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-2-8-6-4-3-5-7-8/h7-8H,3-6,9-10H2,1-2H3;2-7H,1H2
InChIKeyWGINADDHJLYSAK-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.56
Rot. Bonds9

About dibutyl but-2-enedioate;styrene

dibutyl but-2-enedioate;styrene (PubChem CID 70528436) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is dibutyl but-2-enedioate;styrene.

Molecular Properties

Compound Namedibutyl but-2-enedioate;styrene
PubChem CID70528436
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Namedibutyl but-2-enedioate;styrene
SMILESC=Cc1ccccc1.CCCCOC(=O)C=CC(=O)OCCCC
InChIInChI=1S/C12H20O4.C8H8/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-2-8-6-4-3-5-7-8/h7-8H,3-6,9-10H2,1-2H3;2-7H,1H2
InChIKeyWGINADDHJLYSAK-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
styrene;tridecyl prop-2-enoate
CID 70120047
4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
butyl prop-2-enoate;styrene;2,2,2-trifluoroethyl prop-2-enoate
CID 67725211
butyl prop-2-enoate;hex-2-enedioic acid;styrene
CID 159185710
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
butyl prop-2-enoate;2-ethenyl-1,4-difluorobenzene;styrene
CID 122130554
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
ethyl (E)-but-2-enoate;styrene
CID 174773304

Frequently Asked Questions

What is the IUPAC name of dibutyl but-2-enedioate;styrene?
The IUPAC name of dibutyl but-2-enedioate;styrene (CID 70528436) is dibutyl but-2-enedioate;styrene.
What is the SMILES notation for dibutyl but-2-enedioate;styrene?
The canonical SMILES for dibutyl but-2-enedioate;styrene is C=Cc1ccccc1.CCCCOC(=O)C=CC(=O)OCCCC.
What is the InChIKey of dibutyl but-2-enedioate;styrene?
The InChIKey is WGINADDHJLYSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.C8H8/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-2-8-6-4-3-5-7-8/h7-8H,3-6,9-10H2,1-2H3;2-7H,1H2.
What are the key properties of dibutyl but-2-enedioate;styrene?
dibutyl but-2-enedioate;styrene has a molecular weight of 332.44 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl but-2-enedioate;styrene is sourced from PubChem (CID 70528436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).