2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate

C30H58O11Si4 — CID 156628804

IUPAC2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate
SMILESC=CCOCCO[Si](C)(CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(OCCOCC=C)OCCOC(=O)C=C)OCCOC(=O)C=C
InChIInChI=1S/C30H58O11Si4/c1-11-15-33-17-21-37-44(9,39-23-19-35-29(31)13-3)27-25-42(5,6)41-43(7,8)26-28-45(10,38-22-18-34-16-12-2)40-24-20-36-30(32)14-4/h11-14H,1-4,15-28H2,5-10H3
InChIKeyVWCZANSNQRFXTL-UHFFFAOYSA-N
MW707.13 g/mol
LogP5.49
Rot. Bonds30

About 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate

2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate (PubChem CID 156628804) has the molecular formula C30H58O11Si4 and a molecular weight of 707.13 g/mol. Its IUPAC name is 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate
PubChem CID156628804
Molecular FormulaC30H58O11Si4
Molecular Weight707.13 g/mol
Exact Mass706.31
IUPAC Name2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate
SMILESC=CCOCCO[Si](C)(CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(OCCOCC=C)OCCOC(=O)C=C)OCCOC(=O)C=C
InChIInChI=1S/C30H58O11Si4/c1-11-15-33-17-21-37-44(9,39-23-19-35-29(31)13-3)27-25-42(5,6)41-43(7,8)26-28-45(10,38-22-18-34-16-12-2)40-24-20-36-30(32)14-4/h11-14H,1-4,15-28H2,5-10H3
InChIKeyVWCZANSNQRFXTL-UHFFFAOYSA-N
XLogP5.49
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms45
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.13
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate (CID 156628804) is 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate is C=CCOCCO[Si](C)(CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(OCCOCC=C)OCCOC(=O)C=C)OCCOC(=O)C=C.
What is the InChIKey of 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate?
The InChIKey is VWCZANSNQRFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O11Si4/c1-11-15-33-17-21-37-44(9,39-23-19-35-29(31)13-3)27-25-42(5,6)41-43(7,8)26-28-45(10,38-22-18-34-16-12-2)40-24-20-36-30(32)14-4/h11-14H,1-4,15-28H2,5-10H3.
What are the key properties of 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate?
2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate has a molecular weight of 707.13 g/mol, XLogP of 5.49, 30 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[dimethyl-[2-[methyl-(2-prop-2-enoxyethoxy)-(2-prop-2-enoyloxyethoxy)silyl]ethyl]silyl]oxy-dimethylsilyl]ethyl-methyl-(2-prop-2-enoxyethoxy)silyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 156628804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).