tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane

C20H34O3Si — CID 11473578

IUPACtert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCCOC2CCCCO2)cc1
InChIInChI=1S/C20H34O3Si/c1-20(2,3)24(4,5)23-18-13-11-17(12-14-18)9-8-16-22-19-10-6-7-15-21-19/h11-14,19H,6-10,15-16H2,1-5H3
InChIKeyDGVNNKSATCAQRP-UHFFFAOYSA-N
MW350.58 g/mol
LogP5.55
Rot. Bonds7

About tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane

tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane (PubChem CID 11473578) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
PubChem CID11473578
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Nametert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCCOC2CCCCO2)cc1
InChIInChI=1S/C20H34O3Si/c1-20(2,3)24(4,5)23-18-13-11-17(12-14-18)9-8-16-22-19-10-6-7-15-21-19/h11-14,19H,6-10,15-16H2,1-5H3
InChIKeyDGVNNKSATCAQRP-UHFFFAOYSA-N
XLogP5.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
CID 147793748
CID 71106654
CID 71106654
4-[tert-butyl(dimethyl)silyl]oxy-3-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-one
CID 13216821
ditert-butyl-hydroxy-[4-[2-(oxan-2-yloxy)ethyl]phenyl]silane;2-[4-[ditert-butyl(hydroxy)silyl]phenyl]acetic acid
CID 160574472
[4-[4-[3-(oxan-2-yloxy)propyl]phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145390116
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane (CID 11473578) is tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane is CC(C)(C)[Si](C)(C)Oc1ccc(CCCOC2CCCCO2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane?
The InChIKey is DGVNNKSATCAQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-20(2,3)24(4,5)23-18-13-11-17(12-14-18)9-8-16-22-19-10-6-7-15-21-19/h11-14,19H,6-10,15-16H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane?
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane has a molecular weight of 350.58 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane is sourced from PubChem (CID 11473578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).