tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane

C18H33NOSi — CID 175965094

IUPACtert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
SMILESCC(C)c1ccc(CCCCO[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C18H33NOSi/c1-15(2)17-12-11-16(14-19-17)10-8-9-13-20-21(6,7)18(3,4)5/h11-12,14-15H,8-10,13H2,1-7H3
InChIKeyOYJSTMNACPPZMB-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.55
Rot. Bonds7

About tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane

tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane (PubChem CID 175965094) has the molecular formula C18H33NOSi and a molecular weight of 307.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
PubChem CID175965094
Molecular FormulaC18H33NOSi
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Nametert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
SMILESCC(C)c1ccc(CCCCO[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C18H33NOSi/c1-15(2)17-12-11-16(14-19-17)10-8-9-13-20-21(6,7)18(3,4)5/h11-12,14-15H,8-10,13H2,1-7H3
InChIKeyOYJSTMNACPPZMB-UHFFFAOYSA-N
XLogP5.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2-carbaldehyde
CID 142526581
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
CID 139657241
5-(3-methylbutyl)-2-propan-2-ylpyridine
CID 91120344
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
CID 59678692
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethanol
CID 70662083
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]acetic acid;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol
CID 68632649

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane (CID 175965094) is tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane is CC(C)c1ccc(CCCCO[Si](C)(C)C(C)(C)C)cn1.
What is the InChIKey of tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane?
The InChIKey is OYJSTMNACPPZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOSi/c1-15(2)17-12-11-16(14-19-17)10-8-9-13-20-21(6,7)18(3,4)5/h11-12,14-15H,8-10,13H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane?
tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane has a molecular weight of 307.55 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane is sourced from PubChem (CID 175965094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).