dicyclohexyl-methyl-oct-1-en-4-ylsilane

C21H40Si — CID 101122160

IUPACdicyclohexyl-methyl-oct-1-en-4-ylsilane
SMILESC=CCC(CCCC)[Si](C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H40Si/c1-4-6-14-19(13-5-2)22(3,20-15-9-7-10-16-20)21-17-11-8-12-18-21/h5,19-21H,2,4,6-18H2,1,3H3
InChIKeyBTDKNDGUZIWDNV-UHFFFAOYSA-N
MW320.64 g/mol
LogP7.87
Rot. Bonds8

About dicyclohexyl-methyl-oct-1-en-4-ylsilane

dicyclohexyl-methyl-oct-1-en-4-ylsilane (PubChem CID 101122160) has the molecular formula C21H40Si and a molecular weight of 320.64 g/mol. Its IUPAC name is dicyclohexyl-methyl-oct-1-en-4-ylsilane.

Molecular Properties

Compound Namedicyclohexyl-methyl-oct-1-en-4-ylsilane
PubChem CID101122160
Molecular FormulaC21H40Si
Molecular Weight320.64 g/mol
Exact Mass320.29
IUPAC Namedicyclohexyl-methyl-oct-1-en-4-ylsilane
SMILESC=CCC(CCCC)[Si](C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H40Si/c1-4-6-14-19(13-5-2)22(3,20-15-9-7-10-16-20)21-17-11-8-12-18-21/h5,19-21H,2,4,6-18H2,1,3H3
InChIKeyBTDKNDGUZIWDNV-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.64
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
CID 102059705
1-oct-1-en-4-ylbicyclo[2.2.2]octane
CID 57249843
[(E)-oct-2-en-4-yl]cyclohexane
CID 134979965
cyclopentyl-bis(3-methoxyprop-1-ynyl)-non-1-en-4-yloxysilane
CID 11417548
(4S)-4-ethyloct-1-ene
CID 129373406
tributyl(cyclohexyloxy)phosphanium
CID 23415292
tricyclohexyl(trimethylsilyl)silane
CID 139629055
1-cyclohexylbut-3-enoxy-dimethyl-prop-2-enylsilane
CID 11791697
cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane
CID 140840487
(1,1-dicyclohexyl-2-methylhexyl)cyclohexane
CID 141441140
oct-1-en-4-yl-tris(prop-2-enyl)phosphanium
CID 87404524
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-methyl-oct-1-en-4-ylsilane?
The IUPAC name of dicyclohexyl-methyl-oct-1-en-4-ylsilane (CID 101122160) is dicyclohexyl-methyl-oct-1-en-4-ylsilane.
What is the SMILES notation for dicyclohexyl-methyl-oct-1-en-4-ylsilane?
The canonical SMILES for dicyclohexyl-methyl-oct-1-en-4-ylsilane is C=CCC(CCCC)[Si](C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-methyl-oct-1-en-4-ylsilane?
The InChIKey is BTDKNDGUZIWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40Si/c1-4-6-14-19(13-5-2)22(3,20-15-9-7-10-16-20)21-17-11-8-12-18-21/h5,19-21H,2,4,6-18H2,1,3H3.
What are the key properties of dicyclohexyl-methyl-oct-1-en-4-ylsilane?
dicyclohexyl-methyl-oct-1-en-4-ylsilane has a molecular weight of 320.64 g/mol, XLogP of 7.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-methyl-oct-1-en-4-ylsilane is sourced from PubChem (CID 101122160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).