(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal

C22H48O3Si2 — CID 10905822

IUPAC(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@@H](C)CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-17(2)20(25-27(12,13)22(7,8)9)19(16-18(3)14-15-23)24-26(10,11)21(4,5)6/h15,17-20H,14,16H2,1-13H3/t18-,19+,20+/m0/s1
InChIKeyLHUINUMXHXSAAH-XUVXKRRUSA-N
MW416.80 g/mol
LogP7.04
Rot. Bonds10

About (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal

(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal (PubChem CID 10905822) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal.

Molecular Properties

Compound Name(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal
PubChem CID10905822
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@@H](C)CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-17(2)20(25-27(12,13)22(7,8)9)19(16-18(3)14-15-23)24-26(10,11)21(4,5)6/h15,17-20H,14,16H2,1-13H3/t18-,19+,20+/m0/s1
InChIKeyLHUINUMXHXSAAH-XUVXKRRUSA-N
XLogP7.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.04
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'}

Analyze (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal with MolForge

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Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
CID 25111742
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
CID 56591109
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-3-propan-2-ylheptanal
CID 57412962
(4R,5R)-5-[(tert-Butyldimethylsilyl)oxy]-4-methylheptanal
CID 129889198
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2R,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134930906
(2S,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134931168
(2R,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134931618
2,6-Dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal
CID 135041121
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
CID 138970752
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal?
The IUPAC name of (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal (CID 10905822) is (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal.
What is the SMILES notation for (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal?
The canonical SMILES for (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@@H](C)CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal?
The InChIKey is LHUINUMXHXSAAH-XUVXKRRUSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-17(2)20(25-27(12,13)22(7,8)9)19(16-18(3)14-15-23)24-26(10,11)21(4,5)6/h15,17-20H,14,16H2,1-13H3/t18-,19+,20+/m0/s1.
What are the key properties of (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal?
(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal has a molecular weight of 416.80 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal is sourced from PubChem (CID 10905822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).