5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal

C25H36O2Si — CID 139843596

IUPAC5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1CCc1ccc(CCCCC=O)cc1
InChIInChI=1S/C25H36O2Si/c1-25(2,3)28(4,5)27-24-13-9-8-12-23(24)19-18-22-16-14-21(15-17-22)11-7-6-10-20-26/h8-9,12-17,20H,6-7,10-11,18-19H2,1-5H3
InChIKeyIYEPFNLKJWSFSN-UHFFFAOYSA-N
MW396.65 g/mol
LogP6.77
Rot. Bonds10

About 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal

5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal (PubChem CID 139843596) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal.

Molecular Properties

Compound Name5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal
PubChem CID139843596
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1CCc1ccc(CCCCC=O)cc1
InChIInChI=1S/C25H36O2Si/c1-25(2,3)28(4,5)27-24-13-9-8-12-23(24)19-18-22-16-14-21(15-17-22)11-7-6-10-20-26/h8-9,12-17,20H,6-7,10-11,18-19H2,1-5H3
InChIKeyIYEPFNLKJWSFSN-UHFFFAOYSA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
CID 67215564
ethane;methanamine;11-phenylundecanal
CID 153398504
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
CID 167727510
(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 53344193
N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine
CID 134875724
tert-butyl 4-(5-oxopentyl)benzoate
CID 10400485
5-(4-diphenylphosphanylphenyl)pentanal
CID 12013218

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal?
The IUPAC name of 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal (CID 139843596) is 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal.
What is the SMILES notation for 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal?
The canonical SMILES for 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal is CC(C)(C)[Si](C)(C)Oc1ccccc1CCc1ccc(CCCCC=O)cc1.
What is the InChIKey of 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal?
The InChIKey is IYEPFNLKJWSFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-25(2,3)28(4,5)27-24-13-9-8-12-23(24)19-18-22-16-14-21(15-17-22)11-7-6-10-20-26/h8-9,12-17,20H,6-7,10-11,18-19H2,1-5H3.
What are the key properties of 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal?
5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal has a molecular weight of 396.65 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal is sourced from PubChem (CID 139843596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).