2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal

C20H34O3Si — CID 173350668

IUPAC2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal
SMILESCC(CC(C)(C)C)C(OCc1ccccc1)C(C)(C=O)O[SiH](C)C
InChIInChI=1S/C20H34O3Si/c1-16(13-19(2,3)4)18(20(5,15-21)23-24(6)7)22-14-17-11-9-8-10-12-17/h8-12,15-16,18,24H,13-14H2,1-7H3
InChIKeyGXBOKJKSNLRHNP-UHFFFAOYSA-N
MW350.57 g/mol
LogP4.60
Rot. Bonds9

About 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal

2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal (PubChem CID 173350668) has the molecular formula C20H34O3Si and a molecular weight of 350.57 g/mol. Its IUPAC name is 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal.

Molecular Properties

Compound Name2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal
PubChem CID173350668
Molecular FormulaC20H34O3Si
Molecular Weight350.57 g/mol
Exact Mass350.23
IUPAC Name2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal
SMILESCC(CC(C)(C)C)C(OCc1ccccc1)C(C)(C=O)O[SiH](C)C
InChIInChI=1S/C20H34O3Si/c1-16(13-19(2,3)4)18(20(5,15-21)23-24(6)7)22-14-17-11-9-8-10-12-17/h8-12,15-16,18,24H,13-14H2,1-7H3
InChIKeyGXBOKJKSNLRHNP-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.57
LogP ≤ 54.60
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'}

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Related Compounds

(4R)-3-hydroxy-2,2-dimethyl-4-phenylmethoxypentanal
CID 135040857
methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane
CID 132576559
2-benzyl-2-dimethylsilyloxy-4,4,5-trimethylhexanal
CID 173390538
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
(E)-4-phenylmethoxypent-2-enal
CID 59042461
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
CID 129053216
(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217
methanol;3-phenylmethoxybutanal
CID 170758415

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal?
The IUPAC name of 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal (CID 173350668) is 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal.
What is the SMILES notation for 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal?
The canonical SMILES for 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal is CC(CC(C)(C)C)C(OCc1ccccc1)C(C)(C=O)O[SiH](C)C.
What is the InChIKey of 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal?
The InChIKey is GXBOKJKSNLRHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-16(13-19(2,3)4)18(20(5,15-21)23-24(6)7)22-14-17-11-9-8-10-12-17/h8-12,15-16,18,24H,13-14H2,1-7H3.
What are the key properties of 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal?
2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal has a molecular weight of 350.57 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxy-2,4,6,6-tetramethyl-3-phenylmethoxyheptanal is sourced from PubChem (CID 173350668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).