(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol

C21H44O2Si2 — CID 138980520

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
SMILESCC(C)[Si](C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO)(C(C)C)C(C)C
InChIInChI=1S/C21H44O2Si2/c1-16(2)25(17(3)4,18(5)6)14-13-20(19(7)15-22)23-24(11,12)21(8,9)10/h16-20,22H,15H2,1-12H3/t19-,20-/m0/s1
InChIKeyAIKLINKTCHYQJB-PMACEKPBSA-N
MW384.75 g/mol
LogP6.23
Rot. Bonds7

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol (PubChem CID 138980520) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
PubChem CID138980520
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
SMILESCC(C)[Si](C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO)(C(C)C)C(C)C
InChIInChI=1S/C21H44O2Si2/c1-16(2)25(17(3)4,18(5)6)14-13-20(19(7)15-22)23-24(11,12)21(8,9)10/h16-20,22H,15H2,1-12H3/t19-,20-/m0/s1
InChIKeyAIKLINKTCHYQJB-PMACEKPBSA-N
XLogP6.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 56.23
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
2-Methyl-1-butanol, 3-t-butyldimethylsilyloxy-
CID 554461
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-1-ol
CID 11063919
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 15598231
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
CID 11235617
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11618217
(2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11639893
6-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silylhexa-1,4-diyn-3-ol
CID 12027344

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol (CID 138980520) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol is CC(C)[Si](C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
The InChIKey is AIKLINKTCHYQJB-PMACEKPBSA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-16(2)25(17(3)4,18(5)6)14-13-20(19(7)15-22)23-24(11,12)21(8,9)10/h16-20,22H,15H2,1-12H3/t19-,20-/m0/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol has a molecular weight of 384.75 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol is sourced from PubChem (CID 138980520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).