(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol

C24H32O2Si — CID 101388497

IUPAC(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol
SMILESC=CC[C@](O)(/C=C/C=C/O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C24H32O2Si/c1-7-16-24(25,17-10-11-18-26-27(5,6)23(2,3)4)22-15-14-20-12-8-9-13-21(20)19-22/h7-15,17-19,25H,1,16H2,2-6H3/b17-10+,18-11+/t24-/m0/s1
InChIKeySQPIUOLMXVOOLK-BBZKYDJJSA-N
MW380.60 g/mol
LogP6.70
Rot. Bonds7

About (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol

(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol (PubChem CID 101388497) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol.

Molecular Properties

Compound Name(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol
PubChem CID101388497
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Name(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol
SMILESC=CC[C@](O)(/C=C/C=C/O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C24H32O2Si/c1-7-16-24(25,17-10-11-18-26-27(5,6)23(2,3)4)22-15-14-20-12-8-9-13-21(20)19-22/h7-15,17-19,25H,1,16H2,2-6H3/b17-10+,18-11+/t24-/m0/s1
InChIKeySQPIUOLMXVOOLK-BBZKYDJJSA-N
XLogP6.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 56.70
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal
CID 177440072
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
CID 132990782
ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
CID 122202564
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
1-naphthalen-2-yl-1-(4-trimethylsilylphenyl)ethanol
CID 56946566
tert-butyl-dimethyl-(1-naphthalen-2-ylprop-1-enoxy)silane
CID 67471172
tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
CID 173308840
trinaphthalen-2-ylmethanol
CID 10573628
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol
CID 102105011

Frequently Asked Questions

What is the IUPAC name of (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol?
The IUPAC name of (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol (CID 101388497) is (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol.
What is the SMILES notation for (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol?
The canonical SMILES for (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol is C=CC[C@](O)(/C=C/C=C/O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol?
The InChIKey is SQPIUOLMXVOOLK-BBZKYDJJSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-7-16-24(25,17-10-11-18-26-27(5,6)23(2,3)4)22-15-14-20-12-8-9-13-21(20)19-22/h7-15,17-19,25H,1,16H2,2-6H3/b17-10+,18-11+/t24-/m0/s1.
What are the key properties of (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol?
(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol has a molecular weight of 380.60 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol is sourced from PubChem (CID 101388497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).