(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol

C15H32O2Si2 — CID 71561744

IUPAC(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H32O2Si2/c1-13(14(16)10-11-18(5,6)7)12-17-19(8,9)15(2,3)4/h13-14,16H,12H2,1-9H3/t13-,14+/m0/s1
InChIKeySMBDXSSABLBLNI-UONOGXRCSA-N
MW300.59 g/mol
LogP3.89
Rot. Bonds4

About (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol

(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 71561744) has the molecular formula C15H32O2Si2 and a molecular weight of 300.59 g/mol. Its IUPAC name is (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID71561744
Molecular FormulaC15H32O2Si2
Molecular Weight300.59 g/mol
Exact Mass300.19
IUPAC Name(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H32O2Si2/c1-13(14(16)10-11-18(5,6)7)12-17-19(8,9)15(2,3)4/h13-14,16H,12H2,1-9H3/t13-,14+/m0/s1
InChIKeySMBDXSSABLBLNI-UONOGXRCSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 102143532
(3R,4R,5S,8S,9S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-bis(methoxymethoxy)-4,8,10-trimethyl-1-trimethylsilylundec-1-yn-3-ol
CID 102356585
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
CID 71664998
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol (CID 71561744) is (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is SMBDXSSABLBLNI-UONOGXRCSA-N. The full InChI is InChI=1S/C15H32O2Si2/c1-13(14(16)10-11-18(5,6)7)12-17-19(8,9)15(2,3)4/h13-14,16H,12H2,1-9H3/t13-,14+/m0/s1.
What are the key properties of (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol?
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 300.59 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 71561744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).