1,1-dimethyl-3,4-dioctylsilole

C22H42Si — CID 135062817

IUPAC1,1-dimethyl-3,4-dioctylsilole
SMILESCCCCCCCCC1=C[Si](C)(C)C=C1CCCCCCCC
InChIInChI=1S/C22H42Si/c1-5-7-9-11-13-15-17-21-19-23(3,4)20-22(21)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyOOBPQPLBYMNSDR-UHFFFAOYSA-N
MW334.66 g/mol
LogP8.14
Rot. Bonds14

About 1,1-dimethyl-3,4-dioctylsilole

1,1-dimethyl-3,4-dioctylsilole (PubChem CID 135062817) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dioctylsilole.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dioctylsilole
PubChem CID135062817
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Name1,1-dimethyl-3,4-dioctylsilole
SMILESCCCCCCCCC1=C[Si](C)(C)C=C1CCCCCCCC
InChIInChI=1S/C22H42Si/c1-5-7-9-11-13-15-17-21-19-23(3,4)20-22(21)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyOOBPQPLBYMNSDR-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.66
LogP ≤ 58.14
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'}

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Related Compounds

trimethyl-[(E)-2-methyloct-1-enyl]silane
CID 10035643
[(E)-2-ethyloct-1-enyl]-trimethylsilane
CID 10081920
[(E)-3-butyl-2-methyl-5-methylidenenon-2-enyl]-triethylsilane
CID 101777994
Triisopropyl(3-methylenenon-1-yn-1-yl)silane
CID 102088940
Trimethyl(3-methylidenenonyl)silane
CID 10584673
trimethyl-[(Z)-2-methyloct-1-enyl]silane
CID 12426804
[(Z)-2-ethyloct-1-enyl]-trimethylsilane
CID 12458688
Trimethyl(2-methylidenenonyl)silane
CID 13979642
trimethyl-[(E)-3-methylidenenon-1-enyl]silane
CID 14617633
3,4-Dihexyl-1,1-dimethylsilole
CID 14960758
Bis(trimethylsilylmethylidene)cyclooctane
CID 15244875
Trimethyl(2-methylidenedodecyl)silane
CID 16046669

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dioctylsilole?
The IUPAC name of 1,1-dimethyl-3,4-dioctylsilole (CID 135062817) is 1,1-dimethyl-3,4-dioctylsilole.
What is the SMILES notation for 1,1-dimethyl-3,4-dioctylsilole?
The canonical SMILES for 1,1-dimethyl-3,4-dioctylsilole is CCCCCCCCC1=C[Si](C)(C)C=C1CCCCCCCC.
What is the InChIKey of 1,1-dimethyl-3,4-dioctylsilole?
The InChIKey is OOBPQPLBYMNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42Si/c1-5-7-9-11-13-15-17-21-19-23(3,4)20-22(21)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 1,1-dimethyl-3,4-dioctylsilole?
1,1-dimethyl-3,4-dioctylsilole has a molecular weight of 334.66 g/mol, XLogP of 8.14, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-dioctylsilole is sourced from PubChem (CID 135062817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).