dibutoxy(4-phenylbutyl)silane

C18H32O2Si — CID 123309068

IUPACdibutoxy(4-phenylbutyl)silane
SMILESCCCCO[SiH](CCCCc1ccccc1)OCCCC
InChIInChI=1S/C18H32O2Si/c1-3-5-15-19-21(20-16-6-4-2)17-11-10-14-18-12-8-7-9-13-18/h7-9,12-13,21H,3-6,10-11,14-17H2,1-2H3
InChIKeyBRQZZOCEGBLTRU-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.86
Rot. Bonds13

About dibutoxy(4-phenylbutyl)silane

dibutoxy(4-phenylbutyl)silane (PubChem CID 123309068) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is dibutoxy(4-phenylbutyl)silane.

Molecular Properties

Compound Namedibutoxy(4-phenylbutyl)silane
PubChem CID123309068
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namedibutoxy(4-phenylbutyl)silane
SMILESCCCCO[SiH](CCCCc1ccccc1)OCCCC
InChIInChI=1S/C18H32O2Si/c1-3-5-15-19-21(20-16-6-4-2)17-11-10-14-18-12-8-7-9-13-18/h7-9,12-13,21H,3-6,10-11,14-17H2,1-2H3
InChIKeyBRQZZOCEGBLTRU-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.86
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

10-butoxydecylbenzene
CID 151496754
diethoxy(3-phenylpropyl)silane
CID 123960403
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
carbanide;4-heptoxybutylbenzene
CID 158344773
4-heptoxybutylbenzene;methane
CID 158099440
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
dibutoxy-[2-(4-chlorophenyl)ethyl]silane
CID 154408731

Frequently Asked Questions

What is the IUPAC name of dibutoxy(4-phenylbutyl)silane?
The IUPAC name of dibutoxy(4-phenylbutyl)silane (CID 123309068) is dibutoxy(4-phenylbutyl)silane.
What is the SMILES notation for dibutoxy(4-phenylbutyl)silane?
The canonical SMILES for dibutoxy(4-phenylbutyl)silane is CCCCO[SiH](CCCCc1ccccc1)OCCCC.
What is the InChIKey of dibutoxy(4-phenylbutyl)silane?
The InChIKey is BRQZZOCEGBLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-3-5-15-19-21(20-16-6-4-2)17-11-10-14-18-12-8-7-9-13-18/h7-9,12-13,21H,3-6,10-11,14-17H2,1-2H3.
What are the key properties of dibutoxy(4-phenylbutyl)silane?
dibutoxy(4-phenylbutyl)silane has a molecular weight of 308.54 g/mol, XLogP of 4.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(4-phenylbutyl)silane is sourced from PubChem (CID 123309068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).