4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate

C16H26Cl2O4Si — CID 139796033

IUPAC4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](Cl)(Cl)CCCCOC(=O)C(=C)C
InChIInChI=1S/C16H26Cl2O4Si/c1-13(2)15(19)21-9-5-7-11-23(17,18)12-8-6-10-22-16(20)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyUXSOAJQJYZHQDU-UHFFFAOYSA-N
MW381.37 g/mol
LogP4.71
Rot. Bonds12

About 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate

4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate (PubChem CID 139796033) has the molecular formula C16H26Cl2O4Si and a molecular weight of 381.37 g/mol. Its IUPAC name is 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
PubChem CID139796033
Molecular FormulaC16H26Cl2O4Si
Molecular Weight381.37 g/mol
Exact Mass380.10
IUPAC Name4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](Cl)(Cl)CCCCOC(=O)C(=C)C
InChIInChI=1S/C16H26Cl2O4Si/c1-13(2)15(19)21-9-5-7-11-23(17,18)12-8-6-10-22-16(20)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyUXSOAJQJYZHQDU-UHFFFAOYSA-N
XLogP4.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate with MolForge

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Related Compounds

14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-tribromosilylbutyl 2-methylprop-2-enoate
CID 156681575
18-triiodosilyloctadecyl 2-methylprop-2-enoate
CID 156681536
7-tribromosilylheptyl 2-methylprop-2-enoate
CID 156681371
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
CID 156681481
14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
CID 156681283
10-[iodo(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 156681385

Frequently Asked Questions

What is the IUPAC name of 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate (CID 139796033) is 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC[Si](Cl)(Cl)CCCCOC(=O)C(=C)C.
What is the InChIKey of 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate?
The InChIKey is UXSOAJQJYZHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2O4Si/c1-13(2)15(19)21-9-5-7-11-23(17,18)12-8-6-10-22-16(20)14(3)4/h1,3,5-12H2,2,4H3.
What are the key properties of 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate?
4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate has a molecular weight of 381.37 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139796033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).