bis(butyl prop-2-enoate);styrene

C30H40O4 — CID 175337841

IUPACbis(butyl prop-2-enoate);styrene
SMILESC=CC(=O)OCCCC.C=CC(=O)OCCCC.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C8H8.2C7H12O2/c2*1-2-8-6-4-3-5-7-8;2*1-3-5-6-9-7(8)4-2/h2*2-7H,1H2;2*4H,2-3,5-6H2,1H3
InChIKeyWHFOFFGNSFEGHF-UHFFFAOYSA-N
MW464.65 g/mol
LogP7.69
Rot. Bonds10

About bis(butyl prop-2-enoate);styrene

bis(butyl prop-2-enoate);styrene (PubChem CID 175337841) has the molecular formula C30H40O4 and a molecular weight of 464.65 g/mol. Its IUPAC name is bis(butyl prop-2-enoate);styrene.

Molecular Properties

Compound Namebis(butyl prop-2-enoate);styrene
PubChem CID175337841
Molecular FormulaC30H40O4
Molecular Weight464.65 g/mol
Exact Mass464.29
IUPAC Namebis(butyl prop-2-enoate);styrene
SMILESC=CC(=O)OCCCC.C=CC(=O)OCCCC.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C8H8.2C7H12O2/c2*1-2-8-6-4-3-5-7-8;2*1-3-5-6-9-7(8)4-2/h2*2-7H,1H2;2*4H,2-3,5-6H2,1H3
InChIKeyWHFOFFGNSFEGHF-UHFFFAOYSA-N
XLogP7.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 57.69
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
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
styrene;tridecyl prop-2-enoate
CID 70120047
dibutyl but-2-enedioate;styrene
CID 70528436
butyl prop-2-enoate;styrene;2,2,2-trifluoroethyl prop-2-enoate
CID 67725211
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl prop-2-enoate;hex-2-enedioic acid;styrene
CID 159185710
butyl prop-2-enoate;2-ethenyl-1,4-difluorobenzene;styrene
CID 122130554
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;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
butyl prop-2-enoate;1,2-xylene
CID 70409011
N-methylprop-2-enamide;octyl prop-2-enoate;prop-1-ene;styrene
CID 91287712

Frequently Asked Questions

What is the IUPAC name of bis(butyl prop-2-enoate);styrene?
The IUPAC name of bis(butyl prop-2-enoate);styrene (CID 175337841) is bis(butyl prop-2-enoate);styrene.
What is the SMILES notation for bis(butyl prop-2-enoate);styrene?
The canonical SMILES for bis(butyl prop-2-enoate);styrene is C=CC(=O)OCCCC.C=CC(=O)OCCCC.C=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of bis(butyl prop-2-enoate);styrene?
The InChIKey is WHFOFFGNSFEGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.2C7H12O2/c2*1-2-8-6-4-3-5-7-8;2*1-3-5-6-9-7(8)4-2/h2*2-7H,1H2;2*4H,2-3,5-6H2,1H3.
What are the key properties of bis(butyl prop-2-enoate);styrene?
bis(butyl prop-2-enoate);styrene has a molecular weight of 464.65 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butyl prop-2-enoate);styrene is sourced from PubChem (CID 175337841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).