bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane

C22H36O2Si — CID 135074238

IUPACbis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCC(C)(C)C=C1)(OC1=CCC(C)(C)C=C1)C(C)C
InChIInChI=1S/C22H36O2Si/c1-17(2)25(18(3)4,23-19-9-13-21(5,6)14-10-19)24-20-11-15-22(7,8)16-12-20/h9-13,15,17-18H,14,16H2,1-8H3
InChIKeyGNOQZBNTIAZJQF-UHFFFAOYSA-N
MW360.61 g/mol
LogP7.02
Rot. Bonds6

About bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane

bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane (PubChem CID 135074238) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Namebis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane
PubChem CID135074238
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Namebis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCC(C)(C)C=C1)(OC1=CCC(C)(C)C=C1)C(C)C
InChIInChI=1S/C22H36O2Si/c1-17(2)25(18(3)4,23-19-9-13-21(5,6)14-10-19)24-20-11-15-22(7,8)16-12-20/h9-13,15,17-18H,14,16H2,1-8H3
InChIKeyGNOQZBNTIAZJQF-UHFFFAOYSA-N
XLogP7.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 57.02
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 bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
The IUPAC name of bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane (CID 135074238) is bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane.
What is the SMILES notation for bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
The canonical SMILES for bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane is CC(C)[Si](OC1=CCC(C)(C)C=C1)(OC1=CCC(C)(C)C=C1)C(C)C.
What is the InChIKey of bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
The InChIKey is GNOQZBNTIAZJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-17(2)25(18(3)4,23-19-9-13-21(5,6)14-10-19)24-20-11-15-22(7,8)16-12-20/h9-13,15,17-18H,14,16H2,1-8H3.
What are the key properties of bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane has a molecular weight of 360.61 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane is sourced from PubChem (CID 135074238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).