cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane

C18H32O2Si2 — CID 70140056

IUPACcyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane
SMILESC1=CCCC=C1.C[Si](C)(C)OC1C=CC=CC1O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2.C6H8/c1-15(2,3)13-11-9-7-8-10-12(11)14-16(4,5)6;1-2-4-6-5-3-1/h7-12H,1-6H3;1-4H,5-6H2
InChIKeyVZDJAKPLEKTPJS-UHFFFAOYSA-N
MW336.62 g/mol
LogP5.45
Rot. Bonds4

About cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane

cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane (PubChem CID 70140056) has the molecular formula C18H32O2Si2 and a molecular weight of 336.62 g/mol. Its IUPAC name is cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane.

Molecular Properties

Compound Namecyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane
PubChem CID70140056
Molecular FormulaC18H32O2Si2
Molecular Weight336.62 g/mol
Exact Mass336.19
IUPAC Namecyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane
SMILESC1=CCCC=C1.C[Si](C)(C)OC1C=CC=CC1O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2.C6H8/c1-15(2,3)13-11-9-7-8-10-12(11)14-16(4,5)6;1-2-4-6-5-3-1/h7-12H,1-6H3;1-4H,5-6H2
InChIKeyVZDJAKPLEKTPJS-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.62
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane?
The IUPAC name of cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane (CID 70140056) is cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane.
What is the SMILES notation for cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane?
The canonical SMILES for cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane is C1=CCCC=C1.C[Si](C)(C)OC1C=CC=CC1O[Si](C)(C)C.
What is the InChIKey of cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane?
The InChIKey is VZDJAKPLEKTPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si2.C6H8/c1-15(2,3)13-11-9-7-8-10-12(11)14-16(4,5)6;1-2-4-6-5-3-1/h7-12H,1-6H3;1-4H,5-6H2.
What are the key properties of cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane?
cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane has a molecular weight of 336.62 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;trimethyl-(6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)oxysilane is sourced from PubChem (CID 70140056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).