(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol

C27H38O2Si — CID 10740934

IUPAC(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
SMILESCC/C(=C\CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C27H38O2Si/c1-6-24(22-28)15-13-14-23(2)20-21-29-30(27(3,4)5,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,15-20,28H,6,13-14,21-22H2,1-5H3/b23-20+,24-15+
InChIKeySINGCIIASPEVDO-IKGRMMEISA-N
MW422.69 g/mol
LogP5.62
Rot. Bonds10

About (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol

(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol (PubChem CID 10740934) has the molecular formula C27H38O2Si and a molecular weight of 422.69 g/mol. Its IUPAC name is (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
PubChem CID10740934
Molecular FormulaC27H38O2Si
Molecular Weight422.69 g/mol
Exact Mass422.26
IUPAC Name(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
SMILESCC/C(=C\CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C27H38O2Si/c1-6-24(22-28)15-13-14-23(2)20-21-29-30(27(3,4)5,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,15-20,28H,6,13-14,21-22H2,1-5H3/b23-20+,24-15+
InChIKeySINGCIIASPEVDO-IKGRMMEISA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
CID 10624878
[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dienyl] methanesulfonate
CID 10553464
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2,6-diethylocta-2,6-dienyl] methanesulfonate
CID 10720612
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane
CID 140737174
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(2E,6S,7R,10E)-12-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-1-ol
CID 11273873
[(E)-6-[tert-butyl(diphenyl)silyl]oxy-1,1-dideuterio-4-methylhex-4-enyl] 4-methylbenzenesulfonate
CID 122395859
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol (CID 10740934) is (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol is CC/C(=C\CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO.
What is the InChIKey of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol?
The InChIKey is SINGCIIASPEVDO-IKGRMMEISA-N. The full InChI is InChI=1S/C27H38O2Si/c1-6-24(22-28)15-13-14-23(2)20-21-29-30(27(3,4)5,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,15-20,28H,6,13-14,21-22H2,1-5H3/b23-20+,24-15+.
What are the key properties of (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol?
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol has a molecular weight of 422.69 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol is sourced from PubChem (CID 10740934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).