(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane

C21H38OSi — CID 175085284

IUPAC(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
SMILESCC(CCOCc1ccccc1)C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38OSi/c1-17(2)23(18(3)4,19(5)6)16-20(7)13-14-22-15-21-11-9-8-10-12-21/h8-12,17-20H,13-16H2,1-7H3
InChIKeyRCDLEXSTUJTMJO-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.91
Rot. Bonds10

About (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane

(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane (PubChem CID 175085284) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
PubChem CID175085284
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
SMILESCC(CCOCc1ccccc1)C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38OSi/c1-17(2)23(18(3)4,19(5)6)16-20(7)13-14-22-15-21-11-9-8-10-12-21/h8-12,17-20H,13-16H2,1-7H3
InChIKeyRCDLEXSTUJTMJO-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
3-methyl-N-phenyl-5-phenylmethoxypentanamide
CID 175774392
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
CID 134859312
2,6-dimethyl-8-phenylmethoxyoct-2-enal
CID 71442461
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane?
The IUPAC name of (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane (CID 175085284) is (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane?
The canonical SMILES for (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane is CC(CCOCc1ccccc1)C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane?
The InChIKey is RCDLEXSTUJTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-17(2)23(18(3)4,19(5)6)16-20(7)13-14-22-15-21-11-9-8-10-12-21/h8-12,17-20H,13-16H2,1-7H3.
What are the key properties of (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane?
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane has a molecular weight of 334.62 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 175085284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).