(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal

C16H34O2Si — CID 11558306

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
SMILESCC(C)CCC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-14(2)10-8-11-15(12-9-13-17)18-19(6,7)16(3,4)5/h13-15H,8-12H2,1-7H3/t15-/m1/s1
InChIKeyBZNKFKVXKSUSCZ-OAHLLOKOSA-N
MW286.53 g/mol
LogP5.18
Rot. Bonds9

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal (PubChem CID 11558306) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
PubChem CID11558306
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
SMILESCC(C)CCC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-14(2)10-8-11-15(12-9-13-17)18-19(6,7)16(3,4)5/h13-15H,8-12H2,1-7H3/t15-/m1/s1
InChIKeyBZNKFKVXKSUSCZ-OAHLLOKOSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
CID 101384249
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 58077726
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
CID 141158621
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
(2R,5S,6R,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyl-7-oxotetradec-13-enal
CID 134948843
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal (CID 11558306) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal is CC(C)CCC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal?
The InChIKey is BZNKFKVXKSUSCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-14(2)10-8-11-15(12-9-13-17)18-19(6,7)16(3,4)5/h13-15H,8-12H2,1-7H3/t15-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal has a molecular weight of 286.53 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal is sourced from PubChem (CID 11558306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).