(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol

C16H30O2Si — CID 134967061

IUPAC(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol
SMILESC=C[C@@](C)(CC[C@H](O)C#CC)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O2Si/c1-7-12-15(17)13-14-16(6,8-2)18-19(9-3,10-4)11-5/h8,15,17H,2,9-11,13-14H2,1,3-6H3/t15-,16+/m1/s1
InChIKeyFQVQKWFBKXRWSO-CVEARBPZSA-N
MW282.50 g/mol
LogP4.12
Rot. Bonds9

About (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol

(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol (PubChem CID 134967061) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol.

Molecular Properties

Compound Name(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol
PubChem CID134967061
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol
SMILESC=C[C@@](C)(CC[C@H](O)C#CC)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O2Si/c1-7-12-15(17)13-14-16(6,8-2)18-19(9-3,10-4)11-5/h8,15,17H,2,9-11,13-14H2,1,3-6H3/t15-,16+/m1/s1
InChIKeyFQVQKWFBKXRWSO-CVEARBPZSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.12
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

(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylhept-6-yn-1-ol
CID 140189157
(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
CID 10449336
(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol
CID 11043307
7-[Tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol
CID 11119106
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-ol
CID 102367783

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol?
The IUPAC name of (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol (CID 134967061) is (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol.
What is the SMILES notation for (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol?
The canonical SMILES for (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol is C=C[C@@](C)(CC[C@H](O)C#CC)O[Si](CC)(CC)CC.
What is the InChIKey of (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol?
The InChIKey is FQVQKWFBKXRWSO-CVEARBPZSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-12-15(17)13-14-16(6,8-2)18-19(9-3,10-4)11-5/h8,15,17H,2,9-11,13-14H2,1,3-6H3/t15-,16+/m1/s1.
What are the key properties of (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol?
(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol has a molecular weight of 282.50 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol is sourced from PubChem (CID 134967061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).