3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane

C18H34O2Si — CID 154107886

IUPAC3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane
SMILESCCO[SiH](OCC=CC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O2Si/c1-2-19-21(18-14-8-5-9-15-18)20-16-10-13-17-11-6-3-4-7-12-17/h10,13,17-18,21H,2-9,11-12,14-16H2,1H3
InChIKeyVLQUMMLPNCMLMA-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.12
Rot. Bonds7

About 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane

3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane (PubChem CID 154107886) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane.

Molecular Properties

Compound Name3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane
PubChem CID154107886
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane
SMILESCCO[SiH](OCC=CC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O2Si/c1-2-19-21(18-14-8-5-9-15-18)20-16-10-13-17-11-6-3-4-7-12-17/h10,13,17-18,21H,2-9,11-12,14-16H2,1H3
InChIKeyVLQUMMLPNCMLMA-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cycloheptylprop-2-enoxy(diethoxy)silane
CID 154099248
[(E)-but-1-enyl]cyclodecane
CID 173272598
cyclohexyl-cyclopentyl-ethoxysilane
CID 151835803
CID 68792381
CID 68792381
cyclohexyl-ethenyl-ethoxysilane
CID 172794346
3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
cyclohexyl-ethoxy-propylsilane
CID 151439614
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
2-cyclohexylethenylcyclohexane
CID 4124459
dicyclohexyl(ethyl)silane
CID 14982388
3-cyclopentylprop-2-en-1-amine
CID 54310760
3-cyclobutylprop-2-en-1-ol
CID 54225571

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane?
The IUPAC name of 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane (CID 154107886) is 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane.
What is the SMILES notation for 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane?
The canonical SMILES for 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane is CCO[SiH](OCC=CC1CCCCCC1)C1CCCCC1.
What is the InChIKey of 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane?
The InChIKey is VLQUMMLPNCMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-2-19-21(18-14-8-5-9-15-18)20-16-10-13-17-11-6-3-4-7-12-17/h10,13,17-18,21H,2-9,11-12,14-16H2,1H3.
What are the key properties of 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane?
3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane has a molecular weight of 310.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylprop-2-enoxy-cyclohexyl-ethoxysilane is sourced from PubChem (CID 154107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).