[2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane

C23H42O3Si — CID 66598663

IUPAC[2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane
SMILESCCCO[Si](OCCC)(OCCC)C1=C(C2=CCCCCC2)CCCCC1
InChIInChI=1S/C23H42O3Si/c1-4-18-24-27(25-19-5-2,26-20-6-3)23-17-13-9-12-16-22(23)21-14-10-7-8-11-15-21/h14H,4-13,15-20H2,1-3H3
InChIKeyOTLIOUDOHWXFCZ-UHFFFAOYSA-N
MW394.67 g/mol
LogP6.90
Rot. Bonds11

About [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane

[2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane (PubChem CID 66598663) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane.

Molecular Properties

Compound Name[2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane
PubChem CID66598663
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane
SMILESCCCO[Si](OCCC)(OCCC)C1=C(C2=CCCCCC2)CCCCC1
InChIInChI=1S/C23H42O3Si/c1-4-18-24-27(25-19-5-2,26-20-6-3)23-17-13-9-12-16-22(23)21-14-10-7-8-11-15-21/h14H,4-13,15-20H2,1-3H3
InChIKeyOTLIOUDOHWXFCZ-UHFFFAOYSA-N
XLogP6.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane?
The IUPAC name of [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane (CID 66598663) is [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane.
What is the SMILES notation for [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane?
The canonical SMILES for [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane is CCCO[Si](OCCC)(OCCC)C1=C(C2=CCCCCC2)CCCCC1.
What is the InChIKey of [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane?
The InChIKey is OTLIOUDOHWXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-4-18-24-27(25-19-5-2,26-20-6-3)23-17-13-9-12-16-22(23)21-14-10-7-8-11-15-21/h14H,4-13,15-20H2,1-3H3.
What are the key properties of [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane?
[2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane has a molecular weight of 394.67 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohepten-1-yl)cyclohepten-1-yl]-tripropoxysilane is sourced from PubChem (CID 66598663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).