[4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate

C22H44O7Si3 — CID 173306108

IUPAC[4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CCC1([SiH3])CCCCO1)CC1([SiH2]CC[Si](OC)(OC)OC)CCCCO1
InChIInChI=1S/C22H44O7Si3/c1-5-20(23)29-19(10-13-21(30)11-6-8-14-27-21)18-22(12-7-9-15-28-22)31-16-17-32(24-2,25-3)26-4/h5,19H,1,6-18,31H2,2-4,30H3
InChIKeyBDPDCZFZADWFQQ-UHFFFAOYSA-N
MW504.85 g/mol
LogP1.88
Rot. Bonds14

About [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate

[4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate (PubChem CID 173306108) has the molecular formula C22H44O7Si3 and a molecular weight of 504.85 g/mol. Its IUPAC name is [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate
PubChem CID173306108
Molecular FormulaC22H44O7Si3
Molecular Weight504.85 g/mol
Exact Mass504.24
IUPAC Name[4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CCC1([SiH3])CCCCO1)CC1([SiH2]CC[Si](OC)(OC)OC)CCCCO1
InChIInChI=1S/C22H44O7Si3/c1-5-20(23)29-19(10-13-21(30)11-6-8-14-27-21)18-22(12-7-9-15-28-22)31-16-17-32(24-2,25-3)26-4/h5,19H,1,6-18,31H2,2-4,30H3
InChIKeyBDPDCZFZADWFQQ-UHFFFAOYSA-N
XLogP1.88
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.85
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[2-(2-methyloxan-2-yl)silylethyl]silane
CID 123215373
N-[3-(2-silyloxan-2-yl)propyl]prop-2-enamide
CID 175410453
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
CID 141251975
[1-[2-[ethenyl(methyl)silyl]oxan-2-yl]-3-(2-silyloxan-2-yl)propan-2-yl]-trimethoxysilane
CID 123745729
(2-prop-2-enyloxan-2-yl)silane
CID 123453490
palladium;(2-propyloxan-2-yl)silane
CID 174990969
methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
CID 175244889
ethyl N-[(2-silyloxan-2-yl)methyl]carbamate
CID 175525267
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
[2-(dihydroxymethyl)oxan-2-yl] prop-2-enoate
CID 141413960

Frequently Asked Questions

What is the IUPAC name of [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate?
The IUPAC name of [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate (CID 173306108) is [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate.
What is the SMILES notation for [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate?
The canonical SMILES for [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate is C=CC(=O)OC(CCC1([SiH3])CCCCO1)CC1([SiH2]CC[Si](OC)(OC)OC)CCCCO1.
What is the InChIKey of [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate?
The InChIKey is BDPDCZFZADWFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O7Si3/c1-5-20(23)29-19(10-13-21(30)11-6-8-14-27-21)18-22(12-7-9-15-28-22)31-16-17-32(24-2,25-3)26-4/h5,19H,1,6-18,31H2,2-4,30H3.
What are the key properties of [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate?
[4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate has a molecular weight of 504.85 g/mol, XLogP of 1.88, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-silyloxan-2-yl)-1-[2-(2-trimethoxysilylethylsilyl)oxan-2-yl]butan-2-yl] prop-2-enoate is sourced from PubChem (CID 173306108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).