(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol

C20H38OSi — CID 11674197

IUPAC(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
SMILESCCCC/C=C/[C@H](O)[C@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-9-10-11-12-13-20(21)19(8)14-15-22(16(2)3,17(4)5)18(6)7/h12-13,16-21H,9-11H2,1-8H3/b13-12+/t19-,20+/m1/s1
InChIKeyBWGHGWHJFPPIHG-PVAZVXKLSA-N
MW322.61 g/mol
LogP5.95
Rot. Bonds8

About (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol

(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol (PubChem CID 11674197) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
PubChem CID11674197
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
SMILESCCCC/C=C/[C@H](O)[C@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-9-10-11-12-13-20(21)19(8)14-15-22(16(2)3,17(4)5)18(6)7/h12-13,16-21H,9-11H2,1-8H3/b13-12+/t19-,20+/m1/s1
InChIKeyBWGHGWHJFPPIHG-PVAZVXKLSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
18-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-19-methylicosa-1,18-dien-4,8,14-triyn-3-ol
CID 11374361
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(1R,4R)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 17755069
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol
CID 102289951
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol?
The IUPAC name of (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol (CID 11674197) is (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol.
What is the SMILES notation for (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol?
The canonical SMILES for (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol is CCCC/C=C/[C@H](O)[C@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol?
The InChIKey is BWGHGWHJFPPIHG-PVAZVXKLSA-N. The full InChI is InChI=1S/C20H38OSi/c1-9-10-11-12-13-20(21)19(8)14-15-22(16(2)3,17(4)5)18(6)7/h12-13,16-21H,9-11H2,1-8H3/b13-12+/t19-,20+/m1/s1.
What are the key properties of (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol?
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol has a molecular weight of 322.61 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol is sourced from PubChem (CID 11674197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).