2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene

C26H34O6 — CID 67856328

IUPAC2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=Cc1ccccc1
InChIInChI=1S/C18H26O6.C8H8/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7;1-2-8-6-4-3-5-7-8/h2,4,6,8-11H2,1,3,5,7H3;2-7H,1H2
InChIKeyOXCDNVKCKKIIKE-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.07
Rot. Bonds11

About 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene

2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene (PubChem CID 67856328) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene
PubChem CID67856328
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=Cc1ccccc1
InChIInChI=1S/C18H26O6.C8H8/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7;1-2-8-6-4-3-5-7-8/h2,4,6,8-11H2,1,3,5,7H3;2-7H,1H2
InChIKeyOXCDNVKCKKIIKE-UHFFFAOYSA-N
XLogP5.07
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene (CID 67856328) is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene is C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=Cc1ccccc1.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene?
The InChIKey is OXCDNVKCKKIIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6.C8H8/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7;1-2-8-6-4-3-5-7-8/h2,4,6,8-11H2,1,3,5,7H3;2-7H,1H2.
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene?
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene has a molecular weight of 442.55 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 67856328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).