tricyclohexyl(propyl)silane

C21H40Si — CID 140649547

IUPACtricyclohexyl(propyl)silane
SMILESCCC[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H40Si/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h19-21H,2-18H2,1H3
InChIKeyDAVKILGBPFEYDS-UHFFFAOYSA-N
MW320.64 g/mol
LogP7.85
Rot. Bonds5

About tricyclohexyl(propyl)silane

tricyclohexyl(propyl)silane (PubChem CID 140649547) has the molecular formula C21H40Si and a molecular weight of 320.64 g/mol. Its IUPAC name is tricyclohexyl(propyl)silane.

Molecular Properties

Compound Nametricyclohexyl(propyl)silane
PubChem CID140649547
Molecular FormulaC21H40Si
Molecular Weight320.64 g/mol
Exact Mass320.29
IUPAC Nametricyclohexyl(propyl)silane
SMILESCCC[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H40Si/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h19-21H,2-18H2,1H3
InChIKeyDAVKILGBPFEYDS-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.64
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tricyclohexyl(propyl)silane?
The IUPAC name of tricyclohexyl(propyl)silane (CID 140649547) is tricyclohexyl(propyl)silane.
What is the SMILES notation for tricyclohexyl(propyl)silane?
The canonical SMILES for tricyclohexyl(propyl)silane is CCC[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tricyclohexyl(propyl)silane?
The InChIKey is DAVKILGBPFEYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40Si/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h19-21H,2-18H2,1H3.
What are the key properties of tricyclohexyl(propyl)silane?
tricyclohexyl(propyl)silane has a molecular weight of 320.64 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl(propyl)silane is sourced from PubChem (CID 140649547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).