(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine

C27H41NOSi — CID 90098925

IUPAC(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41NOSi/c1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3/b5-4-
InChIKeyBJALCODVCPEHAI-PLNGDYQASA-N
MW423.72 g/mol
LogP5.81
Rot. Bonds13

About (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine

(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine (PubChem CID 90098925) has the molecular formula C27H41NOSi and a molecular weight of 423.72 g/mol. Its IUPAC name is (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine.

Molecular Properties

Compound Name(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
PubChem CID90098925
Molecular FormulaC27H41NOSi
Molecular Weight423.72 g/mol
Exact Mass423.30
IUPAC Name(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41NOSi/c1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3/b5-4-
InChIKeyBJALCODVCPEHAI-PLNGDYQASA-N
XLogP5.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.72
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The IUPAC name of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine (CID 90098925) is (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine.
What is the SMILES notation for (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The canonical SMILES for (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine is CC(C)(C)[Si](OCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The InChIKey is BJALCODVCPEHAI-PLNGDYQASA-N. The full InChI is InChI=1S/C27H41NOSi/c1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3/b5-4-.
What are the key properties of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine has a molecular weight of 423.72 g/mol, XLogP of 5.81, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine is sourced from PubChem (CID 90098925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).