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

C27H40O2Si — CID 90098390

IUPAC(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O2Si/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/h4-5,11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3/b5-4-
InChIKeyBWAQGHIHEMFLFD-PLNGDYQASA-N
MW424.70 g/mol
LogP5.84
Rot. Bonds13

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

(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol (PubChem CID 90098390) has the molecular formula C27H40O2Si and a molecular weight of 424.70 g/mol. Its IUPAC name is (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol.

Molecular Properties

Compound Name(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
PubChem CID90098390
Molecular FormulaC27H40O2Si
Molecular Weight424.70 g/mol
Exact Mass424.28
IUPAC Name(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O2Si/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/h4-5,11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3/b5-4-
InChIKeyBWAQGHIHEMFLFD-PLNGDYQASA-N
XLogP5.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 55.84
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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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
(Z)-8-[tert-butyl(diphenyl)silyl]oxy-3-fluorooct-3-en-1-ol
CID 23054616
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729

Frequently Asked Questions

What is the IUPAC name of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?
The IUPAC name of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol (CID 90098390) is (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol.
What is the SMILES notation for (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?
The canonical SMILES for (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol is CC(C)(C)[Si](OCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?
The InChIKey is BWAQGHIHEMFLFD-PLNGDYQASA-N. The full InChI is InChI=1S/C27H40O2Si/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/h4-5,11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3/b5-4-.
What are the key properties of (Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol has a molecular weight of 424.70 g/mol, XLogP of 5.84, 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-ol is sourced from PubChem (CID 90098390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).