lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol

C14H27LiO2Si — CID 134892553

IUPAClithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
SMILES[C-]#C[C@H](C)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C14H27O2Si.Li/c1-9-11(2)13(15)12(3)10-16-17(7,8)14(4,5)6;/h11-13,15H,10H2,2-8H3;/q-1;+1/t11-,12-,13-;/m0./s1
InChIKeyDWDSUTGWOWDIBQ-QKWXXBCPSA-N
MW262.39 g/mol
LogP0.24
Rot. Bonds5

About lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol

lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol (PubChem CID 134892553) has the molecular formula C14H27LiO2Si and a molecular weight of 262.39 g/mol. Its IUPAC name is lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol.

Molecular Properties

Compound Namelithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
PubChem CID134892553
Molecular FormulaC14H27LiO2Si
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namelithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
SMILES[C-]#C[C@H](C)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C14H27O2Si.Li/c1-9-11(2)13(15)12(3)10-16-17(7,8)14(4,5)6;/h11-13,15H,10H2,2-8H3;/q-1;+1/t11-,12-,13-;/m0./s1
InChIKeyDWDSUTGWOWDIBQ-QKWXXBCPSA-N
XLogP0.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 11736971
2-Methyl-7-trimethylsilylhept-5-yn-3-ol
CID 12169943
(2R,3R)-3-[(tert-Butyldimethylsilyl)oxy]-2-methylpentan-1-ol
CID 14590718
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol
CID 46944427
(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162766
(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol
CID 102278787
(3R,4R)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
CID 130710393

Frequently Asked Questions

What is the IUPAC name of lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol?
The IUPAC name of lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol (CID 134892553) is lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol.
What is the SMILES notation for lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol?
The canonical SMILES for lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol is [C-]#C[C@H](C)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol?
The InChIKey is DWDSUTGWOWDIBQ-QKWXXBCPSA-N. The full InChI is InChI=1S/C14H27O2Si.Li/c1-9-11(2)13(15)12(3)10-16-17(7,8)14(4,5)6;/h11-13,15H,10H2,2-8H3;/q-1;+1/t11-,12-,13-;/m0./s1.
What are the key properties of lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol?
lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol has a molecular weight of 262.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol is sourced from PubChem (CID 134892553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).