(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal

C19H32O4Si — CID 11360148

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
SMILESCOc1ccc(COCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-18(11-13-20)12-14-22-15-16-7-9-17(21-4)10-8-16/h7-10,13,18H,11-12,14-15H2,1-6H3/t18-/m1/s1
InChIKeyJSDYWMFNUOFHCC-GOSISDBHSA-N
MW352.55 g/mol
LogP4.58
Rot. Bonds10

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal (PubChem CID 11360148) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
PubChem CID11360148
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
SMILESCOc1ccc(COCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-18(11-13-20)12-14-22-15-16-7-9-17(21-4)10-8-16/h7-10,13,18H,11-12,14-15H2,1-6H3/t18-/m1/s1
InChIKeyJSDYWMFNUOFHCC-GOSISDBHSA-N
XLogP4.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.58
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

Triethyl(4-methoxybenzyloxy)silane
CID 578646
Butanoic acid, 3-[(4-methoxyphenyl)methoxy]-, methyl ester, (3R)-
CID 10799944
Propanal, 3-[(4-methoxyphenyl)methoxy]-
CID 10997887
4-Methoxybenzyl alcohol, tert-butyldimethylsilyl ether
CID 11075968
1-Allyl(dimethyl)silyloxymethyl-4-methoxybenzene
CID 578604
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal
CID 11088567
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(6R)-1-[(4S,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-8-methylidene-6-triethylsilyloxydec-3-yn-2-one
CID 11249934
(2S,4R,6S,8S)-9-[(4-methoxyphenyl)methoxy]-2,4,6,8-tetramethylnonanal
CID 11256124
ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane
CID 11410168
(6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline
CID 11477851
(E,2R,3R,6S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyloct-4-enal
CID 11750897

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal (CID 11360148) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal is COc1ccc(COCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
The InChIKey is JSDYWMFNUOFHCC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-18(11-13-20)12-14-22-15-16-7-9-17(21-4)10-8-16/h7-10,13,18H,11-12,14-15H2,1-6H3/t18-/m1/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal has a molecular weight of 352.55 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal is sourced from PubChem (CID 11360148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).