tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane

C17H28N2O2Si — CID 176655957

IUPACtert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
SMILESCn1ncc2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C17H28N2O2Si/c1-17(2,3)22(5,6)21-11-7-10-20-15-9-8-14-13-18-19(4)16(14)12-15/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyJJZSXKHQJWZXAW-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.36
Rot. Bonds6

About tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane

tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane (PubChem CID 176655957) has the molecular formula C17H28N2O2Si and a molecular weight of 320.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
PubChem CID176655957
Molecular FormulaC17H28N2O2Si
Molecular Weight320.51 g/mol
Exact Mass320.19
IUPAC Nametert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
SMILESCn1ncc2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C17H28N2O2Si/c1-17(2,3)22(5,6)21-11-7-10-20-15-9-8-14-13-18-19(4)16(14)12-15/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyJJZSXKHQJWZXAW-UHFFFAOYSA-N
XLogP4.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-methylindazol-6-yl)oxyethanamine
CID 84663334
5-(2-bromoethoxy)-1-methylindazole
CID 168998456
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol
CID 142479778
tert-butyl-[3-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]propoxy]-dimethylsilane
CID 150234227
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine
CID 67316685
[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
CID 151937116

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane (CID 176655957) is tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane is Cn1ncc2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc21.
What is the InChIKey of tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane?
The InChIKey is JJZSXKHQJWZXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2Si/c1-17(2,3)22(5,6)21-11-7-10-20-15-9-8-14-13-18-19(4)16(14)12-15/h8-9,12-13H,7,10-11H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane?
tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane has a molecular weight of 320.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane is sourced from PubChem (CID 176655957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).