(3-prop-1-enylcyclohexyl)-tripropoxysilane

C18H36O3Si — CID 57016472

IUPAC(3-prop-1-enylcyclohexyl)-tripropoxysilane
SMILESCC=CC1CCCC([Si](OCCC)(OCCC)OCCC)C1
InChIInChI=1S/C18H36O3Si/c1-5-10-17-11-9-12-18(16-17)22(19-13-6-2,20-14-7-3)21-15-8-4/h5,10,17-18H,6-9,11-16H2,1-4H3
InChIKeyJENINLOYOXRITL-UHFFFAOYSA-N
MW328.57 g/mol
LogP5.34
Rot. Bonds11

About (3-prop-1-enylcyclohexyl)-tripropoxysilane

(3-prop-1-enylcyclohexyl)-tripropoxysilane (PubChem CID 57016472) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (3-prop-1-enylcyclohexyl)-tripropoxysilane.

Molecular Properties

Compound Name(3-prop-1-enylcyclohexyl)-tripropoxysilane
PubChem CID57016472
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(3-prop-1-enylcyclohexyl)-tripropoxysilane
SMILESCC=CC1CCCC([Si](OCCC)(OCCC)OCCC)C1
InChIInChI=1S/C18H36O3Si/c1-5-10-17-11-9-12-18(16-17)22(19-13-6-2,20-14-7-3)21-15-8-4/h5,10,17-18H,6-9,11-16H2,1-4H3
InChIKeyJENINLOYOXRITL-UHFFFAOYSA-N
XLogP5.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-prop-1-enylcyclohexyl)-tripropoxysilane?
The IUPAC name of (3-prop-1-enylcyclohexyl)-tripropoxysilane (CID 57016472) is (3-prop-1-enylcyclohexyl)-tripropoxysilane.
What is the SMILES notation for (3-prop-1-enylcyclohexyl)-tripropoxysilane?
The canonical SMILES for (3-prop-1-enylcyclohexyl)-tripropoxysilane is CC=CC1CCCC([Si](OCCC)(OCCC)OCCC)C1.
What is the InChIKey of (3-prop-1-enylcyclohexyl)-tripropoxysilane?
The InChIKey is JENINLOYOXRITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-5-10-17-11-9-12-18(16-17)22(19-13-6-2,20-14-7-3)21-15-8-4/h5,10,17-18H,6-9,11-16H2,1-4H3.
What are the key properties of (3-prop-1-enylcyclohexyl)-tripropoxysilane?
(3-prop-1-enylcyclohexyl)-tripropoxysilane has a molecular weight of 328.57 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-1-enylcyclohexyl)-tripropoxysilane is sourced from PubChem (CID 57016472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).