(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal

C25H46O3Si2 — CID 11419569

IUPAC(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCCC=O)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C25H46O3Si2/c1-24(2,3)29(7,8)27-22(18-14-15-19-26)20-23(21-16-12-11-13-17-21)28-30(9,10)25(4,5)6/h11-13,16-17,19,22-23H,14-15,18,20H2,1-10H3/t22-,23+/m1/s1
InChIKeyOMMJZMDDTCQEJB-PKTZIBPZSA-N
MW450.81 g/mol
LogP7.90
Rot. Bonds11

About (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal

(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal (PubChem CID 11419569) has the molecular formula C25H46O3Si2 and a molecular weight of 450.81 g/mol. Its IUPAC name is (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal.

Molecular Properties

Compound Name(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
PubChem CID11419569
Molecular FormulaC25H46O3Si2
Molecular Weight450.81 g/mol
Exact Mass450.30
IUPAC Name(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCCC=O)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C25H46O3Si2/c1-24(2,3)29(7,8)27-22(18-14-15-19-26)20-23(21-16-12-11-13-17-21)28-30(9,10)25(4,5)6/h11-13,16-17,19,22-23H,14-15,18,20H2,1-10H3/t22-,23+/m1/s1
InChIKeyOMMJZMDDTCQEJB-PKTZIBPZSA-N
XLogP7.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.81
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
tert-butyl-dimethyl-[(1S)-4-nitro-1-phenylbutoxy]silane
CID 11141410
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal?
The IUPAC name of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal (CID 11419569) is (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal.
What is the SMILES notation for (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal?
The canonical SMILES for (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal is CC(C)(C)[Si](C)(C)O[C@H](CCCC=O)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal?
The InChIKey is OMMJZMDDTCQEJB-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H46O3Si2/c1-24(2,3)29(7,8)27-22(18-14-15-19-26)20-23(21-16-12-11-13-17-21)28-30(9,10)25(4,5)6/h11-13,16-17,19,22-23H,14-15,18,20H2,1-10H3/t22-,23+/m1/s1.
What are the key properties of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal?
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal has a molecular weight of 450.81 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal is sourced from PubChem (CID 11419569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).