(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol

C16H32O2Si — CID 90710501

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol
SMILESCCCCC[C@@](C)(C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-10-12-16(5,13-11-14-17)18-19(6,7)15(2,3)4/h17H,8-10,12,14H2,1-7H3/t16-/m0/s1
InChIKeyYIHNDQNQNHNJLE-INIZCTEOSA-N
MW284.52 g/mol
LogP4.34
Rot. Bonds6

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol (PubChem CID 90710501) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol
PubChem CID90710501
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol
SMILESCCCCC[C@@](C)(C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-10-12-16(5,13-11-14-17)18-19(6,7)15(2,3)4/h17H,8-10,12,14H2,1-7H3/t16-/m0/s1
InChIKeyYIHNDQNQNHNJLE-INIZCTEOSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
9-[Tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol
CID 10364274
4-[Tert-butyl(dimethyl)silyl]oxy-4-ethyloct-2-yn-1-ol
CID 85825714
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol
CID 85825764
1-[Tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
CID 123523351
(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-tri(propan-2-yl)silyloct-7-yn-1-ol
CID 145294790
6-Methyl-8-tri(propan-2-yl)silyloct-7-yne-1,4-diol
CID 173682791
(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol
CID 10765007
(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol
CID 11314714
(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol
CID 11375487
1-[3-Tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol
CID 11645523

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol (CID 90710501) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol is CCCCC[C@@](C)(C#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol?
The InChIKey is YIHNDQNQNHNJLE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-9-10-12-16(5,13-11-14-17)18-19(6,7)15(2,3)4/h17H,8-10,12,14H2,1-7H3/t16-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-yn-1-ol is sourced from PubChem (CID 90710501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).