(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal

C19H32O3Si — CID 139917803

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
SMILESCC(OCc1ccccc1)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-16(21-15-17-11-8-7-9-12-17)18(13-10-14-20)22-23(5,6)19(2,3)4/h7-9,11-12,14,16,18H,10,13,15H2,1-6H3/t16?,18-/m1/s1
InChIKeyIYBVNEPBRQORBG-UHUGOGIASA-N
MW336.55 g/mol
LogP4.96
Rot. Bonds9

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal (PubChem CID 139917803) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
PubChem CID139917803
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
SMILESCC(OCc1ccccc1)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-16(21-15-17-11-8-7-9-12-17)18(13-10-14-20)22-23(5,6)19(2,3)4/h7-9,11-12,14,16,18H,10,13,15H2,1-6H3/t16?,18-/m1/s1
InChIKeyIYBVNEPBRQORBG-UHUGOGIASA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.96
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'}

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Related Compounds

(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198
(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(dibenzylamino)-4-phenylmethoxyhexanal
CID 11180121
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(2E,6Z,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-10-phenylmethoxyundeca-2,6-dienal
CID 10928395
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
CID 53387980
(Z,2R,3R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
CID 53388286

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal (CID 139917803) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal is CC(OCc1ccccc1)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal?
The InChIKey is IYBVNEPBRQORBG-UHUGOGIASA-N. The full InChI is InChI=1S/C19H32O3Si/c1-16(21-15-17-11-8-7-9-12-17)18(13-10-14-20)22-23(5,6)19(2,3)4/h7-9,11-12,14,16,18H,10,13,15H2,1-6H3/t16?,18-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal has a molecular weight of 336.55 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal is sourced from PubChem (CID 139917803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).