[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium

C13H29O3Si+ — CID 135036750

IUPAC[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium
SMILESC=CC[C@@H](C[C@H](O)C[OH2+])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-7-8-12(9-11(15)10-14)16-17(5,6)13(2,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3/p+1/t11-,12-/m0/s1
InChIKeyGKSXXMLTANIJJG-RYUDHWBXSA-O
MW261.46 g/mol
LogP2.43
Rot. Bonds7

About [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium

[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium (PubChem CID 135036750) has the molecular formula C13H29O3Si+ and a molecular weight of 261.46 g/mol. Its IUPAC name is [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium.

Molecular Properties

Compound Name[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium
PubChem CID135036750
Molecular FormulaC13H29O3Si+
Molecular Weight261.46 g/mol
Exact Mass261.19
IUPAC Name[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium
SMILESC=CC[C@@H](C[C@H](O)C[OH2+])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-7-8-12(9-11(15)10-14)16-17(5,6)13(2,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3/p+1/t11-,12-/m0/s1
InChIKeyGKSXXMLTANIJJG-RYUDHWBXSA-O
XLogP2.43
TPSA52.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol
CID 10825136
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methyl-6-tri(propan-2-yl)silyloxyocta-1,7-dien-4-ol
CID 169294434
Ctk2E3476
CID 11246239
(2R)-2-triethylsilyloxypent-4-en-1-ol
CID 11378941
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
CID 11458884
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium?
The IUPAC name of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium (CID 135036750) is [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium.
What is the SMILES notation for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium?
The canonical SMILES for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium is C=CC[C@@H](C[C@H](O)C[OH2+])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium?
The InChIKey is GKSXXMLTANIJJG-RYUDHWBXSA-O. The full InChI is InChI=1S/C13H28O3Si/c1-7-8-12(9-11(15)10-14)16-17(5,6)13(2,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3/p+1/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium?
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium has a molecular weight of 261.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium is sourced from PubChem (CID 135036750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).