cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane

C20H36O3Si — CID 69215916

IUPACcyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane
SMILESCCO[Si](OCC)(OCCC1=CCCCCC1)C1=CCCCCC1
InChIInChI=1S/C20H36O3Si/c1-3-21-24(22-4-2,20-15-11-7-8-12-16-20)23-18-17-19-13-9-5-6-10-14-19/h13,15H,3-12,14,16-18H2,1-2H3
InChIKeyDSKDWTLLENUFKX-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.73
Rot. Bonds9

About cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane

cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane (PubChem CID 69215916) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane.

Molecular Properties

Compound Namecyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane
PubChem CID69215916
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Namecyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane
SMILESCCO[Si](OCC)(OCCC1=CCCCCC1)C1=CCCCCC1
InChIInChI=1S/C20H36O3Si/c1-3-21-24(22-4-2,20-15-11-7-8-12-16-20)23-18-17-19-13-9-5-6-10-14-19/h13,15H,3-12,14,16-18H2,1-2H3
InChIKeyDSKDWTLLENUFKX-UHFFFAOYSA-N
XLogP5.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.73
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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Related Compounds

2-(cyclohexen-1-yl)ethoxy-trimethylsilane
CID 552743
cyclohexen-1-yl-diethoxy-methylsilane
CID 13225409
[(1E)-cycloocten-1-yl]-trimethoxysilane
CID 22623529
1-butylcyclononene
CID 56981158
di(cyclohexen-1-yl)-dipropoxysilane
CID 66598945
1-pentylcyclododecene
CID 150654776
1-(2-methoxyethyl)cyclopentene
CID 23262422
1-nonylcyclooctene
CID 151486862
1-hexylcycloheptene
CID 15587826
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane
CID 153307547

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane?
The IUPAC name of cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane (CID 69215916) is cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane.
What is the SMILES notation for cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane?
The canonical SMILES for cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane is CCO[Si](OCC)(OCCC1=CCCCCC1)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane?
The InChIKey is DSKDWTLLENUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-3-21-24(22-4-2,20-15-11-7-8-12-16-20)23-18-17-19-13-9-5-6-10-14-19/h13,15H,3-12,14,16-18H2,1-2H3.
What are the key properties of cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane?
cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane has a molecular weight of 352.59 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane is sourced from PubChem (CID 69215916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).