(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal

C21H42O3Si2 — CID 10810922

IUPAC(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal
SMILESC=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-13-15-21(16-14-2,24-26(11,12)20(6,7)8)18(17-22)23-25(9,10)19(3,4)5/h13-14,17-18H,1-2,15-16H2,3-12H3/t18-/m1/s1
InChIKeyQTFKAPOUDRGYIC-GOSISDBHSA-N
MW398.74 g/mol
LogP6.49
Rot. Bonds10

About (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal

(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal (PubChem CID 10810922) has the molecular formula C21H42O3Si2 and a molecular weight of 398.74 g/mol. Its IUPAC name is (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal.

Molecular Properties

Compound Name(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal
PubChem CID10810922
Molecular FormulaC21H42O3Si2
Molecular Weight398.74 g/mol
Exact Mass398.27
IUPAC Name(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal
SMILESC=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-13-15-21(16-14-2,24-26(11,12)20(6,7)8)18(17-22)23-25(9,10)19(3,4)5/h13-14,17-18H,1-2,15-16H2,3-12H3/t18-/m1/s1
InChIKeyQTFKAPOUDRGYIC-GOSISDBHSA-N
XLogP6.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.74
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-4-enal
CID 134931119
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
CID 10970756
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
CID 10360165
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal
CID 10549646
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
CID 11450792
(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enal
CID 102422324

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal?
The IUPAC name of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal (CID 10810922) is (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal.
What is the SMILES notation for (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal?
The canonical SMILES for (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal is C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal?
The InChIKey is QTFKAPOUDRGYIC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H42O3Si2/c1-13-15-21(16-14-2,24-26(11,12)20(6,7)8)18(17-22)23-25(9,10)19(3,4)5/h13-14,17-18H,1-2,15-16H2,3-12H3/t18-/m1/s1.
What are the key properties of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal?
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal has a molecular weight of 398.74 g/mol, XLogP of 6.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enal is sourced from PubChem (CID 10810922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).