(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal

C25H44O4Si2 — CID 10027466

IUPAC(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@H](/C=C\COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O4Si2/c1-24(2,3)30(7,8)28-22(23(19-26)29-31(9,10)25(4,5)6)17-14-18-27-20-21-15-12-11-13-16-21/h11-17,19,22-23H,18,20H2,1-10H3/b17-14-/t22-,23-/m0/s1
InChIKeyMKYGOPPZSBHPNK-XOLJBUHUSA-N
MW464.80 g/mol
LogP6.74
Rot. Bonds11

About (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal

(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal (PubChem CID 10027466) has the molecular formula C25H44O4Si2 and a molecular weight of 464.80 g/mol. Its IUPAC name is (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal.

Molecular Properties

Compound Name(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal
PubChem CID10027466
Molecular FormulaC25H44O4Si2
Molecular Weight464.80 g/mol
Exact Mass464.28
IUPAC Name(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@H](/C=C\COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O4Si2/c1-24(2,3)30(7,8)28-22(23(19-26)29-31(9,10)25(4,5)6)17-14-18-27-20-21-15-12-11-13-16-21/h11-17,19,22-23H,18,20H2,1-10H3/b17-14-/t22-,23-/m0/s1
InChIKeyMKYGOPPZSBHPNK-XOLJBUHUSA-N
XLogP6.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.80
LogP ≤ 56.74
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyhex-4-enal
CID 11727786
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hexadecoxy-3-phenylmethoxyhex-5-enal
CID 101388981
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
[(E,2R,3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris(phenylmethoxy)hept-5-en-2-yl] chloromethanesulfonate
CID 11814431
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
5-phenylmethoxypent-3-enal
CID 54324259
4-phenylmethoxybut-2-enal
CID 56616610
ethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyldeca-2,4,8-trienoate
CID 16749503

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal?
The IUPAC name of (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal (CID 10027466) is (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal.
What is the SMILES notation for (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal?
The canonical SMILES for (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal is CC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@H](/C=C\COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal?
The InChIKey is MKYGOPPZSBHPNK-XOLJBUHUSA-N. The full InChI is InChI=1S/C25H44O4Si2/c1-24(2,3)30(7,8)28-22(23(19-26)29-31(9,10)25(4,5)6)17-14-18-27-20-21-15-12-11-13-16-21/h11-17,19,22-23H,18,20H2,1-10H3/b17-14-/t22-,23-/m0/s1.
What are the key properties of (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal?
(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal has a molecular weight of 464.80 g/mol, XLogP of 6.74, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal is sourced from PubChem (CID 10027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).