dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane

C20H32Si — CID 101095441

IUPACdimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
SMILESCCCCCCCCC1=CC([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C20H32Si/c1-4-5-6-7-8-10-13-18-16-20(17-18)21(2,3)19-14-11-9-12-15-19/h9,11-12,14-16,20H,4-8,10,13,17H2,1-3H3
InChIKeyFVGMGKUIUJCJGP-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.05
Rot. Bonds9

About dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane

dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane (PubChem CID 101095441) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane.

Molecular Properties

Compound Namedimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
PubChem CID101095441
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Namedimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
SMILESCCCCCCCCC1=CC([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C20H32Si/c1-4-5-6-7-8-10-13-18-16-20(17-18)21(2,3)19-14-11-9-12-15-19/h9,11-12,14-16,20H,4-8,10,13,17H2,1-3H3
InChIKeyFVGMGKUIUJCJGP-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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Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane?
The IUPAC name of dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane (CID 101095441) is dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane.
What is the SMILES notation for dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane?
The canonical SMILES for dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane is CCCCCCCCC1=CC([Si](C)(C)c2ccccc2)C1.
What is the InChIKey of dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane?
The InChIKey is FVGMGKUIUJCJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-4-5-6-7-8-10-13-18-16-20(17-18)21(2,3)19-14-11-9-12-15-19/h9,11-12,14-16,20H,4-8,10,13,17H2,1-3H3.
What are the key properties of dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane?
dimethyl-(3-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-(3-octylcyclobut-2-en-1-yl)-phenylsilane is sourced from PubChem (CID 101095441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).