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

C18H32O4Si — CID 70406567

IUPAC(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane
SMILESCCCOC1([Si](OC)(OC)OC)C=CC=C(C2CCCCC2)C1
InChIInChI=1S/C18H32O4Si/c1-5-14-22-18(23(19-2,20-3)21-4)13-9-12-17(15-18)16-10-7-6-8-11-16/h9,12-13,16H,5-8,10-11,14-15H2,1-4H3
InChIKeyWLZJAJIBZLCDMS-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.04
Rot. Bonds8

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

(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane (PubChem CID 70406567) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane.

Molecular Properties

Compound Name(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane
PubChem CID70406567
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane
SMILESCCCOC1([Si](OC)(OC)OC)C=CC=C(C2CCCCC2)C1
InChIInChI=1S/C18H32O4Si/c1-5-14-22-18(23(19-2,20-3)21-4)13-9-12-17(15-18)16-10-7-6-8-11-16/h9,12-13,16H,5-8,10-11,14-15H2,1-4H3
InChIKeyWLZJAJIBZLCDMS-UHFFFAOYSA-N
XLogP4.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.04
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)-trimethoxysilane?
The IUPAC name of (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane (CID 70406567) is (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane.
What is the SMILES notation for (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane?
The canonical SMILES for (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane is CCCOC1([Si](OC)(OC)OC)C=CC=C(C2CCCCC2)C1.
What is the InChIKey of (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane?
The InChIKey is WLZJAJIBZLCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-5-14-22-18(23(19-2,20-3)21-4)13-9-12-17(15-18)16-10-7-6-8-11-16/h9,12-13,16H,5-8,10-11,14-15H2,1-4H3.
What are the key properties of (5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane?
(5-cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane has a molecular weight of 340.54 g/mol, XLogP of 4.04, 8 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)-trimethoxysilane is sourced from PubChem (CID 70406567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).