3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal

C15H30O4Si — CID 11001142

IUPAC3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal
SMILESC[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCC=O)O1
InChIInChI=1S/C15H30O4Si/c1-12-8-9-13(14(18-12)17-11-7-10-16)19-20(5,6)15(2,3)4/h10,12-14H,7-9,11H2,1-6H3/t12-,13-,14-/m0/s1
InChIKeySXRHQPQTTFMKQR-IHRRRGAJSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds6

About 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal

3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal (PubChem CID 11001142) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal.

Molecular Properties

Compound Name3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal
PubChem CID11001142
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal
SMILESC[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCC=O)O1
InChIInChI=1S/C15H30O4Si/c1-12-8-9-13(14(18-12)17-11-7-10-16)19-20(5,6)15(2,3)4/h10,12-14H,7-9,11H2,1-6H3/t12-,13-,14-/m0/s1
InChIKeySXRHQPQTTFMKQR-IHRRRGAJSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate
CID 139257645
[5-[Tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl] acetate
CID 53775539
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
CID 57243235
Tert-butyl-[2-methoxy-6-(methoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 57928134
2-[Butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)propanal
CID 88482469
[(2R,3R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl] 2-deuteriopropanoate
CID 140129693
(4R)-4-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxypentanal
CID 155725421
(2S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxane-2-carbaldehyde
CID 173844226
4-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxypentanal
CID 173899851
(4R)-4-[(2R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxypentanal
CID 173900158
(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one
CID 10880317
(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one
CID 10945657

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal?
The IUPAC name of 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal (CID 11001142) is 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal.
What is the SMILES notation for 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal?
The canonical SMILES for 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal is C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCC=O)O1.
What is the InChIKey of 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal?
The InChIKey is SXRHQPQTTFMKQR-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-12-8-9-13(14(18-12)17-11-7-10-16)19-20(5,6)15(2,3)4/h10,12-14H,7-9,11H2,1-6H3/t12-,13-,14-/m0/s1.
What are the key properties of 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal?
3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal has a molecular weight of 302.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal is sourced from PubChem (CID 11001142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).