(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol

C13H26O2Si — CID 138976820

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol
SMILESCC#CC[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-9-10-12(14)11(2)15-16(6,7)13(3,4)5/h11-12,14H,10H2,1-7H3/t11-,12+/m1/s1
InChIKeyYASHKPVHKJJTKI-NEPJUHHUSA-N
MW242.43 g/mol
LogP3.17
Rot. Bonds4

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol (PubChem CID 138976820) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol
PubChem CID138976820
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol
SMILESCC#CC[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-9-10-12(14)11(2)15-16(6,7)13(3,4)5/h11-12,14H,10H2,1-7H3/t11-,12+/m1/s1
InChIKeyYASHKPVHKJJTKI-NEPJUHHUSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.17
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

1-[(Tert-butyldimethylsilyl)oxy]but-3-yn-2-ol
CID 15261877
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
CID 102039374
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(S)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 15688069
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 58012744
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
CID 58012768
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol
CID 140815551

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol (CID 138976820) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol is CC#CC[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol?
The InChIKey is YASHKPVHKJJTKI-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-9-10-12(14)11(2)15-16(6,7)13(3,4)5/h11-12,14H,10H2,1-7H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol has a molecular weight of 242.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol is sourced from PubChem (CID 138976820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).