[(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane

C12H27FSi2 — CID 5372458

IUPAC[(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane
SMILESC/C(=C\C([Si](C)(C)C)[Si](C)(C)F)C(C)C
InChIInChI=1S/C12H27FSi2/c1-10(2)11(3)9-12(14(4,5)6)15(7,8)13/h9-10,12H,1-8H3/b11-9+
InChIKeyPKROQAAURWAEEK-PKNBQFBNSA-N
MW246.52 g/mol
LogP5.01
Rot. Bonds4

About [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane

[(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane (PubChem CID 5372458) has the molecular formula C12H27FSi2 and a molecular weight of 246.52 g/mol. Its IUPAC name is [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane.

Molecular Properties

Compound Name[(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane
PubChem CID5372458
Molecular FormulaC12H27FSi2
Molecular Weight246.52 g/mol
Exact Mass246.16
IUPAC Name[(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane
SMILESC/C(=C\C([Si](C)(C)C)[Si](C)(C)F)C(C)C
InChIInChI=1S/C12H27FSi2/c1-10(2)11(3)9-12(14(4,5)6)15(7,8)13/h9-10,12H,1-8H3/b11-9+
InChIKeyPKROQAAURWAEEK-PKNBQFBNSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.52
LogP ≤ 55.01
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2,6-cis-heptadienyltrimethylsilane
CID 12550622
3,7-Dimethyl-2,6-octadiene, 1-dimethylfluorosilyl-1-trimethylsilyl-
CID 5371444
2-(Trimethylsilylmethyl)-pentene-2
CID 12538568
[(E)-2-ethylbut-2-enyl]-trimethylsilane
CID 13165645
Trimethyl(5-methylhepta-2,6-dien-1-yl)silane
CID 71441335
CID 134870966
CID 134870966
1,2-Bis(trimethylsilyl)-3-methylcyclohexa-1,4-diene
CID 552314
1,2-Bis(trimethylsilyl)-3,6-dimethylcyclohexa-1,4-diene
CID 552974
1,2-Bis(trimethylsilyl)-4-methylcyclohexa-1,4-diene
CID 553171
1-[(1,1-Dimethylpropyl)dimethylsilyl]-3,4-dimethyl-1-trimethylsilylpent-2-ene
CID 5366629
1-(t-Butyldimethylsilyl)-3,4-dimethyl-1-trimethylsilylpent-2-ene
CID 5366709
Trimethyl(5-methylhexa-1,4-dien-2-yl)silane
CID 11309752

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane?
The IUPAC name of [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane (CID 5372458) is [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane.
What is the SMILES notation for [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane?
The canonical SMILES for [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane is C/C(=C\C([Si](C)(C)C)[Si](C)(C)F)C(C)C.
What is the InChIKey of [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane?
The InChIKey is PKROQAAURWAEEK-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H27FSi2/c1-10(2)11(3)9-12(14(4,5)6)15(7,8)13/h9-10,12H,1-8H3/b11-9+.
What are the key properties of [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane?
[(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane has a molecular weight of 246.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-dimethyl-1-trimethylsilylpent-2-enyl]-fluoro-dimethylsilane is sourced from PubChem (CID 5372458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).