dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane

C20H32Si — CID 101095440

IUPACdimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane
SMILESCCCCCCCCC1([Si](C)(C)c2ccccc2)C=CC1
InChIInChI=1S/C20H32Si/c1-4-5-6-7-8-12-16-20(17-13-18-20)21(2,3)19-14-10-9-11-15-19/h9-11,13-15,17H,4-8,12,16,18H2,1-3H3
InChIKeyAIYOAMSLHAETGY-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.05
Rot. Bonds9

About dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane

dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane (PubChem CID 101095440) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane.

Molecular Properties

Compound Namedimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane
PubChem CID101095440
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Namedimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane
SMILESCCCCCCCCC1([Si](C)(C)c2ccccc2)C=CC1
InChIInChI=1S/C20H32Si/c1-4-5-6-7-8-12-16-20(17-13-18-20)21(2,3)19-14-10-9-11-15-19/h9-11,13-15,17H,4-8,12,16,18H2,1-3H3
InChIKeyAIYOAMSLHAETGY-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

icosyl-dimethyl-phenylsilane
CID 91054385
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
heptadecyl(triphenyl)silane
CID 4520075
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-methyl-octyl-phenylsilane
CID 66989770
dichloro-heptyl-phenylsilane
CID 101161411
1,1'-biphenyl;hexadecane
CID 173308514
dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
CID 101095441
(1-octylcyclopropyl)sulfanylbenzene
CID 12950451
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane?
The IUPAC name of dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane (CID 101095440) is dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane.
What is the SMILES notation for dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane?
The canonical SMILES for dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane is CCCCCCCCC1([Si](C)(C)c2ccccc2)C=CC1.
What is the InChIKey of dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane?
The InChIKey is AIYOAMSLHAETGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-4-5-6-7-8-12-16-20(17-13-18-20)21(2,3)19-14-10-9-11-15-19/h9-11,13-15,17H,4-8,12,16,18H2,1-3H3.
What are the key properties of dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane?
dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane has a molecular weight of 300.56 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-octylcyclobut-2-en-1-yl)-phenylsilane is sourced from PubChem (CID 101095440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).