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

C19H32O4Si — CID 11382613

IUPAC(3R)-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-/m0/s1
InChIKeyJSDYWMFNUOFHCC-SFHVURJKSA-N
MW352.55 g/mol
LogP4.58
Rot. Bonds10

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

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal (PubChem CID 11382613) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
PubChem CID11382613
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name(3R)-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-/m0/s1
InChIKeyJSDYWMFNUOFHCC-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal (CID 11382613) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
The canonical SMILES for (3R)-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 (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
The InChIKey is JSDYWMFNUOFHCC-SFHVURJKSA-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-/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal?
(3R)-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 (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal is sourced from PubChem (CID 11382613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).