(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol

C18H38O2Si2 — CID 10904003

IUPAC(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol
SMILESC[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-15(12-11-13-21(6,7)8)17(16(2)14-19)20-22(9,10)18(3,4)5/h15-17,19H,12,14H2,1-10H3/t15-,16+,17-/m0/s1
InChIKeyDFQWOIPHEDXUAA-BBWFWOEESA-N
MW342.67 g/mol
LogP4.91
Rot. Bonds6

About (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol

(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol (PubChem CID 10904003) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol.

Molecular Properties

Compound Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol
PubChem CID10904003
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol
SMILESC[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-15(12-11-13-21(6,7)8)17(16(2)14-19)20-22(9,10)18(3,4)5/h15-17,19H,12,14H2,1-10H3/t15-,16+,17-/m0/s1
InChIKeyDFQWOIPHEDXUAA-BBWFWOEESA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.91
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol?
The IUPAC name of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol (CID 10904003) is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol.
What is the SMILES notation for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol?
The canonical SMILES for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol is C[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC#C[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol?
The InChIKey is DFQWOIPHEDXUAA-BBWFWOEESA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-15(12-11-13-21(6,7)8)17(16(2)14-19)20-22(9,10)18(3,4)5/h15-17,19H,12,14H2,1-10H3/t15-,16+,17-/m0/s1.
What are the key properties of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol?
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol has a molecular weight of 342.67 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol is sourced from PubChem (CID 10904003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).