[[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane

C21H48O6Si7 — CID 173313180

IUPAC[[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane
SMILESCC1=C(C)C(C)C(C)(C(C)=C([SiH]2O[SiH2]O[SiH2]O[SiH2]O2)[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(C)=C1C
InChIInChI=1S/C21H48O6Si7/c1-14-15(2)17(4)21(7,18(5)16(14)3)19(6)20(31-24-29-22-28-23-30-25-31)32(26-33(8,9)10)27-34(11,12)13/h17,31-32H,28-30H2,1-13H3
InChIKeyJCMWXUOLEIDCTQ-UHFFFAOYSA-N
MW593.21 g/mol
LogP2.93
Rot. Bonds7

About [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane

[[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane (PubChem CID 173313180) has the molecular formula C21H48O6Si7 and a molecular weight of 593.21 g/mol. Its IUPAC name is [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane
PubChem CID173313180
Molecular FormulaC21H48O6Si7
Molecular Weight593.21 g/mol
Exact Mass592.18
IUPAC Name[[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane
SMILESCC1=C(C)C(C)C(C)(C(C)=C([SiH]2O[SiH2]O[SiH2]O[SiH2]O2)[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(C)=C1C
InChIInChI=1S/C21H48O6Si7/c1-14-15(2)17(4)21(7,18(5)16(14)3)19(6)20(31-24-29-22-28-23-30-25-31)32(26-33(8,9)10)27-34(11,12)13/h17,31-32H,28-30H2,1-13H3
InChIKeyJCMWXUOLEIDCTQ-UHFFFAOYSA-N
XLogP2.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane?
The IUPAC name of [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane (CID 173313180) is [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane.
What is the SMILES notation for [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane?
The canonical SMILES for [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane is CC1=C(C)C(C)C(C)(C(C)=C([SiH]2O[SiH2]O[SiH2]O[SiH2]O2)[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(C)=C1C.
What is the InChIKey of [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane?
The InChIKey is JCMWXUOLEIDCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O6Si7/c1-14-15(2)17(4)21(7,18(5)16(14)3)19(6)20(31-24-29-22-28-23-30-25-31)32(26-33(8,9)10)27-34(11,12)13/h17,31-32H,28-30H2,1-13H3.
What are the key properties of [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane?
[[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane has a molecular weight of 593.21 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1-(1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-1-enyl]-trimethylsilyloxysilyl]oxy-trimethylsilane is sourced from PubChem (CID 173313180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).