(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal

C14H30O4Si — CID 135041140

IUPAC(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal
SMILESCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C=O
InChIInChI=1S/C14H30O4Si/c1-7-8-9-12(13(17)11(16)10-15)18-19(5,6)14(2,3)4/h10-13,16-17H,7-9H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyWFUIJOSXZNSTAU-AGIUHOORSA-N
MW290.48 g/mol
LogP2.49
Rot. Bonds8

About (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal

(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal (PubChem CID 135041140) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal.

Molecular Properties

Compound Name(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal
PubChem CID135041140
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal
SMILESCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C=O
InChIInChI=1S/C14H30O4Si/c1-7-8-9-12(13(17)11(16)10-15)18-19(5,6)14(2,3)4/h10-13,16-17H,7-9H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyWFUIJOSXZNSTAU-AGIUHOORSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroperoxy-4-hydroxynonanal
CID 90955537
(3R,4S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxyoctadecan-2-one
CID 132539411
1-[Tert-butyl(dimethyl)silyl]-1,2,3-trihydroxynonadecan-4-one
CID 87183545
1-[Tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxynonadecan-4-one
CID 87709027
(2R,3R,4R)-2,3,4-trihydroxyoctanal
CID 88471590
2,2,3,3,4-Pentahydroxynonanal
CID 141166377
2,2,3,3,4-Pentahydroxydecanal
CID 141166384
1,2-Dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one
CID 169097576
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one
CID 10914519
(3R,4S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxynonan-2-one
CID 24862193
(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid
CID 71517005
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxynonan-4-one
CID 101852281

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal?
The IUPAC name of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal (CID 135041140) is (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal.
What is the SMILES notation for (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal?
The canonical SMILES for (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal is CCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C=O.
What is the InChIKey of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal?
The InChIKey is WFUIJOSXZNSTAU-AGIUHOORSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-7-8-9-12(13(17)11(16)10-15)18-19(5,6)14(2,3)4/h10-13,16-17H,7-9H2,1-6H3/t11-,12+,13+/m1/s1.
What are the key properties of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal?
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal has a molecular weight of 290.48 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanal is sourced from PubChem (CID 135041140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).