(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol

C19H36O2Si — CID 134949285

IUPAC(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](O)C#CC
InChIInChI=1S/C19H36O2Si/c1-10-12-18(20)17(9)19(13-11-2)21-22(14(3)4,15(5)6)16(7)8/h11,14-20H,2,13H2,1,3-9H3/t17-,18+,19-/m0/s1
InChIKeyDQNZMMIWPRGYCL-OTWHNJEPSA-N
MW324.58 g/mol
LogP5.14
Rot. Bonds9

About (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol

(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol (PubChem CID 134949285) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol.

Molecular Properties

Compound Name(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol
PubChem CID134949285
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](O)C#CC
InChIInChI=1S/C19H36O2Si/c1-10-12-18(20)17(9)19(13-11-2)21-22(14(3)4,15(5)6)16(7)8/h11,14-20H,2,13H2,1,3-9H3/t17-,18+,19-/m0/s1
InChIKeyDQNZMMIWPRGYCL-OTWHNJEPSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.14
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol?
The IUPAC name of (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol (CID 134949285) is (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol.
What is the SMILES notation for (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol?
The canonical SMILES for (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol is C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](O)C#CC.
What is the InChIKey of (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol?
The InChIKey is DQNZMMIWPRGYCL-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-10-12-18(20)17(9)19(13-11-2)21-22(14(3)4,15(5)6)16(7)8/h11,14-20H,2,13H2,1,3-9H3/t17-,18+,19-/m0/s1.
What are the key properties of (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol?
(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol has a molecular weight of 324.58 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol is sourced from PubChem (CID 134949285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).