(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal

C22H44O3Si2 — CID 10549646

IUPAC(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal
SMILESC=CCC(CC=C)(C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si2/c1-13-15-22(16-14-2,25-27(11,12)21(6,7)8)17-19(18-23)24-26(9,10)20(3,4)5/h13-14,18-19H,1-2,15-17H2,3-12H3/t19-/m0/s1
InChIKeyLEIAIZVZLYFUAQ-IBGZPJMESA-N
MW412.76 g/mol
LogP6.88
Rot. Bonds11

About (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal

(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal (PubChem CID 10549646) has the molecular formula C22H44O3Si2 and a molecular weight of 412.76 g/mol. Its IUPAC name is (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal.

Molecular Properties

Compound Name(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal
PubChem CID10549646
Molecular FormulaC22H44O3Si2
Molecular Weight412.76 g/mol
Exact Mass412.28
IUPAC Name(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal
SMILESC=CCC(CC=C)(C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si2/c1-13-15-22(16-14-2,25-27(11,12)21(6,7)8)17-19(18-23)24-26(9,10)20(3,4)5/h13-14,18-19H,1-2,15-17H2,3-12H3/t19-/m0/s1
InChIKeyLEIAIZVZLYFUAQ-IBGZPJMESA-N
XLogP6.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.76
LogP ≤ 56.88
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal?
The IUPAC name of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal (CID 10549646) is (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal.
What is the SMILES notation for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal?
The canonical SMILES for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal is C=CCC(CC=C)(C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal?
The InChIKey is LEIAIZVZLYFUAQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H44O3Si2/c1-13-15-22(16-14-2,25-27(11,12)21(6,7)8)17-19(18-23)24-26(9,10)20(3,4)5/h13-14,18-19H,1-2,15-17H2,3-12H3/t19-/m0/s1.
What are the key properties of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal?
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal has a molecular weight of 412.76 g/mol, XLogP of 6.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enal is sourced from PubChem (CID 10549646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).