[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane

C21H32Si — CID 101153076

IUPAC[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane
SMILESC=CCC/C(=C/C[Si](C)(C)c1ccccc1)CCC=C(C)C
InChIInChI=1S/C21H32Si/c1-6-7-13-20(14-11-12-19(2)3)17-18-22(4,5)21-15-9-8-10-16-21/h6,8-10,12,15-17H,1,7,11,13-14,18H2,2-5H3/b20-17-
InChIKeyHXNONSXGJQHAKQ-JZJYNLBNSA-N
MW312.57 g/mol
LogP6.24
Rot. Bonds9

About [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane

[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane (PubChem CID 101153076) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane
PubChem CID101153076
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane
SMILESC=CCC/C(=C/C[Si](C)(C)c1ccccc1)CCC=C(C)C
InChIInChI=1S/C21H32Si/c1-6-7-13-20(14-11-12-19(2)3)17-18-22(4,5)21-15-9-8-10-16-21/h6,8-10,12,15-17H,1,7,11,13-14,18H2,2-5H3/b20-17-
InChIKeyHXNONSXGJQHAKQ-JZJYNLBNSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.24
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

[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
CID 12992255
dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
CID 102120921
(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
CID 10058832
but-3-enyl-methyl-phenyl-prop-2-enylsilane
CID 175181643
trimethyl-[(2E)-6-methyl-2-(2-trimethylsilylethylidene)hept-5-enyl]silane
CID 12842313
2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
CID 10955439
dimethyl-(3-methylocta-1,2,7-trienyl)-phenylsilane
CID 15400973
but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
CID 10709670
dimethyl-prop-2-enyl-(4-prop-1-en-2-ylphenyl)silane
CID 19853247
(3E)-4-(2-hydroxy-2-phenylethyl)-8-methylnona-3,7-dien-2-one
CID 101247587
dimethyl-phenyl-[(Z)-3-phenylprop-2-enyl]silane
CID 102586986
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane?
The IUPAC name of [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane (CID 101153076) is [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane?
The canonical SMILES for [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane is C=CCC/C(=C/C[Si](C)(C)c1ccccc1)CCC=C(C)C.
What is the InChIKey of [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane?
The InChIKey is HXNONSXGJQHAKQ-JZJYNLBNSA-N. The full InChI is InChI=1S/C21H32Si/c1-6-7-13-20(14-11-12-19(2)3)17-18-22(4,5)21-15-9-8-10-16-21/h6,8-10,12,15-17H,1,7,11,13-14,18H2,2-5H3/b20-17-.
What are the key properties of [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane?
[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane has a molecular weight of 312.57 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane is sourced from PubChem (CID 101153076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).