1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate

C29H62O6Si6 — CID 173370250

IUPAC1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate
SMILESCC(=C[Si]1(C)CCC([Si]2(C)CCC(C)(C)O[Si]2(C)C)([Si]2(C)CCC(C)(C)O[Si]2(C)C)C(C)(C)O1)C(=O)OC(C)O[SiH3]
InChIInChI=1S/C29H62O6Si6/c1-23(25(30)31-24(2)32-36)22-39(13)19-18-29(28(7,8)35-39,40(14)20-16-26(3,4)33-37(40,9)10)41(15)21-17-27(5,6)34-38(41,11)12/h22,24H,16-21H2,1-15,36H3
InChIKeyDGKBBIAYQLIWCS-UHFFFAOYSA-N
MW675.33 g/mol
LogP6.83
Rot. Bonds6

About 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate

1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate (PubChem CID 173370250) has the molecular formula C29H62O6Si6 and a molecular weight of 675.33 g/mol. Its IUPAC name is 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate
PubChem CID173370250
Molecular FormulaC29H62O6Si6
Molecular Weight675.33 g/mol
Exact Mass674.32
IUPAC Name1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate
SMILESCC(=C[Si]1(C)CCC([Si]2(C)CCC(C)(C)O[Si]2(C)C)([Si]2(C)CCC(C)(C)O[Si]2(C)C)C(C)(C)O1)C(=O)OC(C)O[SiH3]
InChIInChI=1S/C29H62O6Si6/c1-23(25(30)31-24(2)32-36)22-39(13)19-18-29(28(7,8)35-39,40(14)20-16-26(3,4)33-37(40,9)10)41(15)21-17-27(5,6)34-38(41,11)12/h22,24H,16-21H2,1-15,36H3
InChIKeyDGKBBIAYQLIWCS-UHFFFAOYSA-N
XLogP6.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.33
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate?
The IUPAC name of 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate (CID 173370250) is 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate.
What is the SMILES notation for 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate?
The canonical SMILES for 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate is CC(=C[Si]1(C)CCC([Si]2(C)CCC(C)(C)O[Si]2(C)C)([Si]2(C)CCC(C)(C)O[Si]2(C)C)C(C)(C)O1)C(=O)OC(C)O[SiH3].
What is the InChIKey of 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate?
The InChIKey is DGKBBIAYQLIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O6Si6/c1-23(25(30)31-24(2)32-36)22-39(13)19-18-29(28(7,8)35-39,40(14)20-16-26(3,4)33-37(40,9)10)41(15)21-17-27(5,6)34-38(41,11)12/h22,24H,16-21H2,1-15,36H3.
What are the key properties of 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate?
1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate has a molecular weight of 675.33 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silyloxyethyl 2-methyl-3-[2,6,6-trimethyl-5,5-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)oxasilinan-2-yl]prop-2-enoate is sourced from PubChem (CID 173370250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).