tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane

C15H32O2Si — CID 175054628

IUPACtert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCCO1
InChIInChI=1S/C15H32O2Si/c1-15(2,3)18(4,5)17-13-9-7-11-14-10-6-8-12-16-14/h14H,6-13H2,1-5H3
InChIKeyOVCLVLSDPGPYQV-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.75
Rot. Bonds6

About tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane

tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane (PubChem CID 175054628) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
PubChem CID175054628
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Nametert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCCO1
InChIInChI=1S/C15H32O2Si/c1-15(2,3)18(4,5)17-13-9-7-11-14-10-6-8-12-16-14/h14H,6-13H2,1-5H3
InChIKeyOVCLVLSDPGPYQV-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.75
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

tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
4-[(2S,3aS)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]butoxy-tert-butyl-dimethylsilane
CID 11022950
2-(4-ethenoxybutyl)oxane
CID 156762670
5-(oxan-2-yl)pentyl acetate
CID 66871710
1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 65161752
2-(3-chloropropyl)oxane
CID 23511686

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane (CID 175054628) is tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane is CC(C)(C)[Si](C)(C)OCCCCC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane?
The InChIKey is OVCLVLSDPGPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-15(2,3)18(4,5)17-13-9-7-11-14-10-6-8-12-16-14/h14H,6-13H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane?
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane has a molecular weight of 272.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane is sourced from PubChem (CID 175054628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).