4-(4-propoxycyclohexyl)-1-propylsilinane

C17H34OSi — CID 18394471

IUPAC4-(4-propoxycyclohexyl)-1-propylsilinane
SMILESCCCOC1CCC(C2CC[SiH](CCC)CC2)CC1
InChIInChI=1S/C17H34OSi/c1-3-11-18-17-7-5-15(6-8-17)16-9-13-19(12-4-2)14-10-16/h15-17,19H,3-14H2,1-2H3
InChIKeyWZBMCYKEKHERKR-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.02
Rot. Bonds6

About 4-(4-propoxycyclohexyl)-1-propylsilinane

4-(4-propoxycyclohexyl)-1-propylsilinane (PubChem CID 18394471) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is 4-(4-propoxycyclohexyl)-1-propylsilinane.

Molecular Properties

Compound Name4-(4-propoxycyclohexyl)-1-propylsilinane
PubChem CID18394471
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name4-(4-propoxycyclohexyl)-1-propylsilinane
SMILESCCCOC1CCC(C2CC[SiH](CCC)CC2)CC1
InChIInChI=1S/C17H34OSi/c1-3-11-18-17-7-5-15(6-8-17)16-9-13-19(12-4-2)14-10-16/h15-17,19H,3-14H2,1-2H3
InChIKeyWZBMCYKEKHERKR-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(4-propoxycyclohexyl)-1-propylsilinane?
The IUPAC name of 4-(4-propoxycyclohexyl)-1-propylsilinane (CID 18394471) is 4-(4-propoxycyclohexyl)-1-propylsilinane.
What is the SMILES notation for 4-(4-propoxycyclohexyl)-1-propylsilinane?
The canonical SMILES for 4-(4-propoxycyclohexyl)-1-propylsilinane is CCCOC1CCC(C2CC[SiH](CCC)CC2)CC1.
What is the InChIKey of 4-(4-propoxycyclohexyl)-1-propylsilinane?
The InChIKey is WZBMCYKEKHERKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-3-11-18-17-7-5-15(6-8-17)16-9-13-19(12-4-2)14-10-16/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 4-(4-propoxycyclohexyl)-1-propylsilinane?
4-(4-propoxycyclohexyl)-1-propylsilinane has a molecular weight of 282.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxycyclohexyl)-1-propylsilinane is sourced from PubChem (CID 18394471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).