cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane

C29H42O2Si — CID 91700508

IUPACcyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane
SMILESCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H42O2Si/c1-2-3-4-5-6-7-8-18-25-30-32(28-21-14-10-15-22-28,29-23-16-11-17-24-29)31-26-27-19-12-9-13-20-27/h9-12,14-17,21-24,27H,2-8,13,18-20,25-26H2,1H3
InChIKeyXWTNYAPMSFDBQG-UHFFFAOYSA-N
MW450.74 g/mol
LogP6.77
Rot. Bonds15

About cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane

cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane (PubChem CID 91700508) has the molecular formula C29H42O2Si and a molecular weight of 450.74 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane
PubChem CID91700508
Molecular FormulaC29H42O2Si
Molecular Weight450.74 g/mol
Exact Mass450.30
IUPAC Namecyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane
SMILESCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H42O2Si/c1-2-3-4-5-6-7-8-18-25-30-32(28-21-14-10-15-22-28,29-23-16-11-17-24-29)31-26-27-19-12-9-13-20-27/h9-12,14-17,21-24,27H,2-8,13,18-20,25-26H2,1H3
InChIKeyXWTNYAPMSFDBQG-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyloxy-octoxy-diphenylsilane
CID 91732637
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
(3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane
CID 91732645
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
butoxy-(4-methylcyclohexyl)oxy-diphenylsilane
CID 91741215

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane (CID 91700508) is cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane is CCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane?
The InChIKey is XWTNYAPMSFDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42O2Si/c1-2-3-4-5-6-7-8-18-25-30-32(28-21-14-10-15-22-28,29-23-16-11-17-24-29)31-26-27-19-12-9-13-20-27/h9-12,14-17,21-24,27H,2-8,13,18-20,25-26H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane?
cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane has a molecular weight of 450.74 g/mol, XLogP of 6.77, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethoxy-decoxy-diphenylsilane is sourced from PubChem (CID 91700508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).