(9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile

C21H39NOSi — CID 67708583

IUPAC(9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCCCCC/C=C\CCCCCCC1
InChIInChI=1S/C21H39NOSi/c1-24(2,3)23-21(20-22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h4-5H,6-19H2,1-3H3/b5-4-
InChIKeyAGXAITFUBPWXJX-PLNGDYQASA-N
MW349.64 g/mol
LogP7.13
Rot. Bonds2

About (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile

(9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile (PubChem CID 67708583) has the molecular formula C21H39NOSi and a molecular weight of 349.64 g/mol. Its IUPAC name is (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile.

Molecular Properties

Compound Name(9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile
PubChem CID67708583
Molecular FormulaC21H39NOSi
Molecular Weight349.64 g/mol
Exact Mass349.28
IUPAC Name(9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCCCCC/C=C\CCCCCCC1
InChIInChI=1S/C21H39NOSi/c1-24(2,3)23-21(20-22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h4-5H,6-19H2,1-3H3/b5-4-
InChIKeyAGXAITFUBPWXJX-PLNGDYQASA-N
XLogP7.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.64
LogP ≤ 57.13
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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Frequently Asked Questions

What is the IUPAC name of (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile?
The IUPAC name of (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile (CID 67708583) is (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile.
What is the SMILES notation for (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile?
The canonical SMILES for (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCCCCCC/C=C\CCCCCCC1.
What is the InChIKey of (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile?
The InChIKey is AGXAITFUBPWXJX-PLNGDYQASA-N. The full InChI is InChI=1S/C21H39NOSi/c1-24(2,3)23-21(20-22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h4-5H,6-19H2,1-3H3/b5-4-.
What are the key properties of (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile?
(9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile has a molecular weight of 349.64 g/mol, XLogP of 7.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1-trimethylsilyloxycycloheptadec-9-ene-1-carbonitrile is sourced from PubChem (CID 67708583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).