(Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile

C24H35NOSi — CID 140707781

IUPAC(Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile
SMILESCCCC[Si](CCCC)(CCCC)O/C(=C\c1ccccc1)CC#CC#N
InChIInChI=1S/C24H35NOSi/c1-4-7-19-27(20-8-5-2,21-9-6-3)26-24(17-13-14-18-25)22-23-15-11-10-12-16-23/h10-12,15-16,22H,4-9,17,19-21H2,1-3H3/b24-22-
InChIKeyRAQRQFMZRMNNKP-GYHWCHFESA-N
MW381.64 g/mol
LogP7.31
Rot. Bonds13

About (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile

(Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile (PubChem CID 140707781) has the molecular formula C24H35NOSi and a molecular weight of 381.64 g/mol. Its IUPAC name is (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile.

Molecular Properties

Compound Name(Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile
PubChem CID140707781
Molecular FormulaC24H35NOSi
Molecular Weight381.64 g/mol
Exact Mass381.25
IUPAC Name(Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile
SMILESCCCC[Si](CCCC)(CCCC)O/C(=C\c1ccccc1)CC#CC#N
InChIInChI=1S/C24H35NOSi/c1-4-7-19-27(20-8-5-2,21-9-6-3)26-24(17-13-14-18-25)22-23-15-11-10-12-16-23/h10-12,15-16,22H,4-9,17,19-21H2,1-3H3/b24-22-
InChIKeyRAQRQFMZRMNNKP-GYHWCHFESA-N
XLogP7.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.64
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile?
The IUPAC name of (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile (CID 140707781) is (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile.
What is the SMILES notation for (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile?
The canonical SMILES for (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile is CCCC[Si](CCCC)(CCCC)O/C(=C\c1ccccc1)CC#CC#N.
What is the InChIKey of (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile?
The InChIKey is RAQRQFMZRMNNKP-GYHWCHFESA-N. The full InChI is InChI=1S/C24H35NOSi/c1-4-7-19-27(20-8-5-2,21-9-6-3)26-24(17-13-14-18-25)22-23-15-11-10-12-16-23/h10-12,15-16,22H,4-9,17,19-21H2,1-3H3/b24-22-.
What are the key properties of (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile?
(Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile has a molecular weight of 381.64 g/mol, XLogP of 7.31, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-phenyl-5-tributylsilyloxyhex-5-en-2-ynenitrile is sourced from PubChem (CID 140707781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).