trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane

C29H63F3O14Si7 — CID 58361466

IUPACtrimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane
SMILESC=C([Si]1(C)OCCCC[Si](C)(CCCOCCC(F)(F)F)O[Si](C)(C(=C)[Si](OC)(OC)OC)O[Si](C)(C(=C)[Si](OC)(OC)OC)O1)[Si](OC)(OC)OC
InChIInChI=1S/C29H63F3O14Si7/c1-26(51(33-4,34-5)35-6)48(14)43-22-17-18-24-47(13,25-19-21-42-23-20-29(30,31)32)44-49(15,27(2)52(36-7,37-8)38-9)46-50(16,45-48)28(3)53(39-10,40-11)41-12/h1-3,17-25H2,4-16H3
InChIKeyJLKWMGSZENSYSF-UHFFFAOYSA-N
MW889.40 g/mol
LogP5.54
Rot. Bonds21

About trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane

trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane (PubChem CID 58361466) has the molecular formula C29H63F3O14Si7 and a molecular weight of 889.40 g/mol. Its IUPAC name is trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane
PubChem CID58361466
Molecular FormulaC29H63F3O14Si7
Molecular Weight889.40 g/mol
Exact Mass888.26
IUPAC Nametrimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane
SMILESC=C([Si]1(C)OCCCC[Si](C)(CCCOCCC(F)(F)F)O[Si](C)(C(=C)[Si](OC)(OC)OC)O[Si](C)(C(=C)[Si](OC)(OC)OC)O1)[Si](OC)(OC)OC
InChIInChI=1S/C29H63F3O14Si7/c1-26(51(33-4,34-5)35-6)48(14)43-22-17-18-24-47(13,25-19-21-42-23-20-29(30,31)32)44-49(15,27(2)52(36-7,37-8)38-9)46-50(16,45-48)28(3)53(39-10,40-11)41-12/h1-3,17-25H2,4-16H3
InChIKeyJLKWMGSZENSYSF-UHFFFAOYSA-N
XLogP5.54
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane?
The IUPAC name of trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane (CID 58361466) is trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane.
What is the SMILES notation for trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane?
The canonical SMILES for trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane is C=C([Si]1(C)OCCCC[Si](C)(CCCOCCC(F)(F)F)O[Si](C)(C(=C)[Si](OC)(OC)OC)O[Si](C)(C(=C)[Si](OC)(OC)OC)O1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane?
The InChIKey is JLKWMGSZENSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63F3O14Si7/c1-26(51(33-4,34-5)35-6)48(14)43-22-17-18-24-47(13,25-19-21-42-23-20-29(30,31)32)44-49(15,27(2)52(36-7,37-8)38-9)46-50(16,45-48)28(3)53(39-10,40-11)41-12/h1-3,17-25H2,4-16H3.
What are the key properties of trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane?
trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane has a molecular weight of 889.40 g/mol, XLogP of 5.54, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-[2,4,6,8-tetramethyl-8-[3-(3,3,3-trifluoropropoxy)propyl]-2,4-bis(1-trimethoxysilylethenyl)-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododec-6-yl]ethenyl]silane is sourced from PubChem (CID 58361466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).