cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane

C16H28O2Si — CID 174913633

IUPACcyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane
SMILESCC[Si](OC)(OCC1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C16H28O2Si/c1-3-19(17-2,16-12-8-5-9-13-16)18-14-15-10-6-4-7-11-15/h10,12H,3-9,11,13-14H2,1-2H3
InChIKeyKALLSOZKAYIMCJ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.65
Rot. Bonds6

About cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane

cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane (PubChem CID 174913633) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane.

Molecular Properties

Compound Namecyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane
PubChem CID174913633
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Namecyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane
SMILESCC[Si](OC)(OCC1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C16H28O2Si/c1-3-19(17-2,16-12-8-5-9-13-16)18-14-15-10-6-4-7-11-15/h10,12H,3-9,11,13-14H2,1-2H3
InChIKeyKALLSOZKAYIMCJ-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)heptyloxy-
CID 91697247
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)hexyloxy-
CID 91697249
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
[6,7-Bis(methoxymethyl)-1,4,5,8-tetrahydronaphthalen-2-yl]-trimethylsilane
CID 134966868
[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135068814
t-Butyldimethyl(2-methylcyclohex-1-enylmethoxy)silane
CID 554793
t-Butyldimethyl(12-methyleicos-11-enyloxy)silane
CID 5366937
Cyclohexen-1-ylmethoxy(trimethyl)silane
CID 12504332

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane?
The IUPAC name of cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane (CID 174913633) is cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane.
What is the SMILES notation for cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane?
The canonical SMILES for cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane is CC[Si](OC)(OCC1=CCCCC1)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane?
The InChIKey is KALLSOZKAYIMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-3-19(17-2,16-12-8-5-9-13-16)18-14-15-10-6-4-7-11-15/h10,12H,3-9,11,13-14H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane?
cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane has a molecular weight of 280.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(cyclohexen-1-ylmethoxy)-ethyl-methoxysilane is sourced from PubChem (CID 174913633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).