(2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal

C18H31NO4Si — CID 15430016

IUPAC(2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal
SMILESCOc1c(C[C@H](N)C=O)cc(O[Si](C)(C)C(C)(C)C)c(OC)c1C
InChIInChI=1S/C18H31NO4Si/c1-12-16(21-5)13(9-14(19)11-20)10-15(17(12)22-6)23-24(7,8)18(2,3)4/h10-11,14H,9,19H2,1-8H3/t14-/m0/s1
InChIKeyKWWHTDPXLJWCTJ-AWEZNQCLSA-N
MW353.54 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal

(2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal (PubChem CID 15430016) has the molecular formula C18H31NO4Si and a molecular weight of 353.54 g/mol. Its IUPAC name is (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal.

Molecular Properties

Compound Name(2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal
PubChem CID15430016
Molecular FormulaC18H31NO4Si
Molecular Weight353.54 g/mol
Exact Mass353.20
IUPAC Name(2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal
SMILESCOc1c(C[C@H](N)C=O)cc(O[Si](C)(C)C(C)(C)C)c(OC)c1C
InChIInChI=1S/C18H31NO4Si/c1-12-16(21-5)13(9-14(19)11-20)10-15(17(12)22-6)23-24(7,8)18(2,3)4/h10-11,14H,9,19H2,1-8H3/t14-/m0/s1
InChIKeyKWWHTDPXLJWCTJ-AWEZNQCLSA-N
XLogP3.46
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methylphenyl]-2-methylpropanal
CID 158140756
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
CID 10590949
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
CID 174074491
tert-butyl-[2-[(E)-2-iodoethenyl]-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane
CID 10646466
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
CID 167727510
tert-butyl-[[2-[(2S,4S)-5-iodo-4-methylpentan-2-yl]-6-methoxy-7-methyl-1-benzofuran-5-yl]oxy]-dimethylsilane
CID 11191291
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
CID 131734421
tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
CID 91342581
2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
CID 11461073
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
9H-fluoren-9-ylmethyl N-[(1S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate
CID 58878273
tert-butyl N-[(2S)-1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyphenyl]-3-hydroxypropan-2-yl]carbamate
CID 102196365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal?
The IUPAC name of (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal (CID 15430016) is (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal.
What is the SMILES notation for (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal?
The canonical SMILES for (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal is COc1c(C[C@H](N)C=O)cc(O[Si](C)(C)C(C)(C)C)c(OC)c1C.
What is the InChIKey of (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal?
The InChIKey is KWWHTDPXLJWCTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31NO4Si/c1-12-16(21-5)13(9-14(19)11-20)10-15(17(12)22-6)23-24(7,8)18(2,3)4/h10-11,14H,9,19H2,1-8H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal?
(2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal has a molecular weight of 353.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]propanal is sourced from PubChem (CID 15430016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).