(E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal

C23H38O3Si — CID 10938011

IUPAC(E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal
SMILESCCC/C=C(/C=O)C(CCO[Si](C)(C)C(C)(C)C)COCc1ccccc1
InChIInChI=1S/C23H38O3Si/c1-7-8-14-21(17-24)22(15-16-26-27(5,6)23(2,3)4)19-25-18-20-12-10-9-11-13-20/h9-14,17,22H,7-8,15-16,18-19H2,1-6H3/b21-14-
InChIKeyBJKGCWFFAVEOSL-STZFKDTASA-N
MW390.64 g/mol
LogP6.16
Rot. Bonds12

About (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal

(E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal (PubChem CID 10938011) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal.

Molecular Properties

Compound Name(E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal
PubChem CID10938011
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Name(E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal
SMILESCCC/C=C(/C=O)C(CCO[Si](C)(C)C(C)(C)C)COCc1ccccc1
InChIInChI=1S/C23H38O3Si/c1-7-8-14-21(17-24)22(15-16-26-27(5,6)23(2,3)4)19-25-18-20-12-10-9-11-13-20/h9-14,17,22H,7-8,15-16,18-19H2,1-6H3/b21-14-
InChIKeyBJKGCWFFAVEOSL-STZFKDTASA-N
XLogP6.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 56.16
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal with MolForge

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Launch Full Analysis

Related Compounds

methyl (E)-3-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]oxyprop-2-enoate
CID 10894529
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(E,2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-1-phenylmethoxyhept-4-en-3-ol
CID 101339682
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
benzyl (E)-2-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 132540362
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
(E,2S)-9-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-2-(tritylamino)non-4-en-3-one
CID 10651671
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
(E,2S,3S)-9-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-2-(tritylamino)non-4-en-3-ol
CID 10556061
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(dibenzylamino)-4-phenylmethoxyhexanal
CID 11180121

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal?
The IUPAC name of (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal (CID 10938011) is (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal.
What is the SMILES notation for (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal?
The canonical SMILES for (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal is CCC/C=C(/C=O)C(CCO[Si](C)(C)C(C)(C)C)COCc1ccccc1.
What is the InChIKey of (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal?
The InChIKey is BJKGCWFFAVEOSL-STZFKDTASA-N. The full InChI is InChI=1S/C23H38O3Si/c1-7-8-14-21(17-24)22(15-16-26-27(5,6)23(2,3)4)19-25-18-20-12-10-9-11-13-20/h9-14,17,22H,7-8,15-16,18-19H2,1-6H3/b21-14-.
What are the key properties of (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal?
(E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal has a molecular weight of 390.64 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]hex-2-enal is sourced from PubChem (CID 10938011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).