tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane

C24H46O3Si2 — CID 142783605

IUPACtert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(OC2=CCC(O[Si](C)(C)C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H46O3Si2/c1-23(2,3)28(7,8)26-21-15-11-19(12-16-21)25-20-13-17-22(18-14-20)27-29(9,10)24(4,5)6/h11,13,21-22H,12,14-18H2,1-10H3
InChIKeyJXFNWTUQYRPXJO-UHFFFAOYSA-N
MW438.80 g/mol
LogP7.92
Rot. Bonds6

About tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 142783605) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID142783605
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Nametert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(OC2=CCC(O[Si](C)(C)C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H46O3Si2/c1-23(2,3)28(7,8)26-21-15-11-19(12-16-21)25-20-13-17-22(18-14-20)27-29(9,10)24(4,5)6/h11,13,21-22H,12,14-18H2,1-10H3
InChIKeyJXFNWTUQYRPXJO-UHFFFAOYSA-N
XLogP7.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane (CID 142783605) is tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC=C(OC2=CCC(O[Si](C)(C)C(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is JXFNWTUQYRPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-23(2,3)28(7,8)26-21-15-11-19(12-16-21)25-20-13-17-22(18-14-20)27-29(9,10)24(4,5)6/h11,13,21-22H,12,14-18H2,1-10H3.
What are the key properties of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 438.80 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 142783605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).