(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane

C21H38O4Si — CID 70406545

IUPAC(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane
SMILESCCCOC1([Si](OCC)(OCC)OCC)C=CC=C(C2CCCCC2)C1
InChIInChI=1S/C21H38O4Si/c1-5-17-22-21(26(23-6-2,24-7-3)25-8-4)16-12-15-20(18-21)19-13-10-9-11-14-19/h12,15-16,19H,5-11,13-14,17-18H2,1-4H3
InChIKeyDNPHSOPHSDYVAE-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.21
Rot. Bonds11

About (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane

(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane (PubChem CID 70406545) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane.

Molecular Properties

Compound Name(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane
PubChem CID70406545
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Name(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane
SMILESCCCOC1([Si](OCC)(OCC)OCC)C=CC=C(C2CCCCC2)C1
InChIInChI=1S/C21H38O4Si/c1-5-17-22-21(26(23-6-2,24-7-3)25-8-4)16-12-15-20(18-21)19-13-10-9-11-14-19/h12,15-16,19H,5-11,13-14,17-18H2,1-4H3
InChIKeyDNPHSOPHSDYVAE-UHFFFAOYSA-N
XLogP5.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane?
The IUPAC name of (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane (CID 70406545) is (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane.
What is the SMILES notation for (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane?
The canonical SMILES for (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane is CCCOC1([Si](OCC)(OCC)OCC)C=CC=C(C2CCCCC2)C1.
What is the InChIKey of (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane?
The InChIKey is DNPHSOPHSDYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-5-17-22-21(26(23-6-2,24-7-3)25-8-4)16-12-15-20(18-21)19-13-10-9-11-14-19/h12,15-16,19H,5-11,13-14,17-18H2,1-4H3.
What are the key properties of (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane?
(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane has a molecular weight of 382.62 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane is sourced from PubChem (CID 70406545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).