2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal

C18H30O2Si — CID 173390538

IUPAC2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal
SMILESCC(C)C(C)(C)CC(C=O)(Cc1ccccc1)O[SiH](C)C
InChIInChI=1S/C18H30O2Si/c1-15(2)17(3,4)13-18(14-19,20-21(5)6)12-16-10-8-7-9-11-16/h7-11,14-15,21H,12-13H2,1-6H3
InChIKeyOXBADBLURRNWOY-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.24
Rot. Bonds8

About 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal

2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal (PubChem CID 173390538) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal.

Molecular Properties

Compound Name2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal
PubChem CID173390538
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal
SMILESCC(C)C(C)(C)CC(C=O)(Cc1ccccc1)O[SiH](C)C
InChIInChI=1S/C18H30O2Si/c1-15(2)17(3,4)13-18(14-19,20-21(5)6)12-16-10-8-7-9-11-16/h7-11,14-15,21H,12-13H2,1-6H3
InChIKeyOXBADBLURRNWOY-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.24
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

2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal
CID 173350668
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one
CID 174598655
2,2-dimethoxy-3-phenylpropanal
CID 12836204
1-tert-butyl-4-fluorobenzene;ethane;2,2,3-trimethylbutylbenzene
CID 176962807
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
[2,2-bis(chloromethyl)-3-methylbutyl]benzene
CID 79447601
benzyl 3,3,4-trimethylpentanoate
CID 162413973
ethane;(2-methyl-2-propan-2-yloxypropyl)benzene
CID 156811529
(4R)-3-hydroxy-2,2-dimethyl-4-phenylmethoxypentanal
CID 135040857
(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
CID 66626118
(2-methyl-1-phenylpropan-2-yl)oxymethyl formate
CID 87065928

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal?
The IUPAC name of 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal (CID 173390538) is 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal.
What is the SMILES notation for 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal?
The canonical SMILES for 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal is CC(C)C(C)(C)CC(C=O)(Cc1ccccc1)O[SiH](C)C.
What is the InChIKey of 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal?
The InChIKey is OXBADBLURRNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-15(2)17(3,4)13-18(14-19,20-21(5)6)12-16-10-8-7-9-11-16/h7-11,14-15,21H,12-13H2,1-6H3.
What are the key properties of 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal?
2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal has a molecular weight of 306.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal is sourced from PubChem (CID 173390538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).