(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine

C29H45NOSi — CID 70818874

IUPAC(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H45NOSi/c1-29(2,3)32(27-21-15-13-16-22-27,28-23-17-14-18-24-28)31-26-20-12-10-8-6-4-5-7-9-11-19-25-30/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26,30H2,1-3H3/b7-5-
InChIKeyPEBXHOYVMUTOLZ-ALCCZGGFSA-N
MW451.77 g/mol
LogP6.59
Rot. Bonds15

About (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine

(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine (PubChem CID 70818874) has the molecular formula C29H45NOSi and a molecular weight of 451.77 g/mol. Its IUPAC name is (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine.

Molecular Properties

Compound Name(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
PubChem CID70818874
Molecular FormulaC29H45NOSi
Molecular Weight451.77 g/mol
Exact Mass451.33
IUPAC Name(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H45NOSi/c1-29(2,3)32(27-21-15-13-16-22-27,28-23-17-14-18-24-28)31-26-20-12-10-8-6-4-5-7-9-11-19-25-30/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26,30H2,1-3H3/b7-5-
InChIKeyPEBXHOYVMUTOLZ-ALCCZGGFSA-N
XLogP6.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.77
LogP ≤ 56.59
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)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?
The IUPAC name of (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine (CID 70818874) is (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine.
What is the SMILES notation for (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?
The canonical SMILES for (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine is CC(C)(C)[Si](OCCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?
The InChIKey is PEBXHOYVMUTOLZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C29H45NOSi/c1-29(2,3)32(27-21-15-13-16-22-27,28-23-17-14-18-24-28)31-26-20-12-10-8-6-4-5-7-9-11-19-25-30/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26,30H2,1-3H3/b7-5-.
What are the key properties of (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?
(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine has a molecular weight of 451.77 g/mol, XLogP of 6.59, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine is sourced from PubChem (CID 70818874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).