(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol

C29H40O3Si — CID 135030913

IUPAC(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
SMILESCCCCCC#C[C@H](O)[C@H](O)/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H40O3Si/c1-5-6-7-8-15-22-27(30)28(31)23-16-17-24-32-33(29(2,3)4,25-18-11-9-12-19-25)26-20-13-10-14-21-26/h9-14,16,18-21,23,27-28,30-31H,5-8,17,24H2,1-4H3/b23-16+/t27-,28+/m0/s1
InChIKeyFCCKLPFNBOLKKY-FEQGGDCVSA-N
MW464.72 g/mol
LogP4.81
Rot. Bonds11

About (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol

(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol (PubChem CID 135030913) has the molecular formula C29H40O3Si and a molecular weight of 464.72 g/mol. Its IUPAC name is (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol.

Molecular Properties

Compound Name(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
PubChem CID135030913
Molecular FormulaC29H40O3Si
Molecular Weight464.72 g/mol
Exact Mass464.27
IUPAC Name(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
SMILESCCCCCC#C[C@H](O)[C@H](O)/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H40O3Si/c1-5-6-7-8-15-22-27(30)28(31)23-16-17-24-32-33(29(2,3)4,25-18-11-9-12-19-25)26-20-13-10-14-21-26/h9-14,16,18-21,23,27-28,30-31H,5-8,17,24H2,1-4H3/b23-16+/t27-,28+/m0/s1
InChIKeyFCCKLPFNBOLKKY-FEQGGDCVSA-N
XLogP4.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.72
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol with MolForge

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Related Compounds

tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
CID 10985443
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
CID 11991856
(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
CID 11303939
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
CID 86716473
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
CID 132507154
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775

Frequently Asked Questions

What is the IUPAC name of (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol?
The IUPAC name of (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol (CID 135030913) is (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol.
What is the SMILES notation for (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol?
The canonical SMILES for (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol is CCCCCC#C[C@H](O)[C@H](O)/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol?
The InChIKey is FCCKLPFNBOLKKY-FEQGGDCVSA-N. The full InChI is InChI=1S/C29H40O3Si/c1-5-6-7-8-15-22-27(30)28(31)23-16-17-24-32-33(29(2,3)4,25-18-11-9-12-19-25)26-20-13-10-14-21-26/h9-14,16,18-21,23,27-28,30-31H,5-8,17,24H2,1-4H3/b23-16+/t27-,28+/m0/s1.
What are the key properties of (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol?
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol has a molecular weight of 464.72 g/mol, XLogP of 4.81, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol is sourced from PubChem (CID 135030913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).