(4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane

C11H21ISi — CID 71814081

IUPAC(4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane
SMILESCC1=C(C[Si](C)(C)C)CCC(I)C1
InChIInChI=1S/C11H21ISi/c1-9-7-11(12)6-5-10(9)8-13(2,3)4/h11H,5-8H2,1-4H3
InChIKeyBORPWHBVPWMNQF-UHFFFAOYSA-N
MW308.28 g/mol
LogP4.63
Rot. Bonds2

About (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane

(4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane (PubChem CID 71814081) has the molecular formula C11H21ISi and a molecular weight of 308.28 g/mol. Its IUPAC name is (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane.

Molecular Properties

Compound Name(4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane
PubChem CID71814081
Molecular FormulaC11H21ISi
Molecular Weight308.28 g/mol
Exact Mass308.05
IUPAC Name(4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane
SMILESCC1=C(C[Si](C)(C)C)CCC(I)C1
InChIInChI=1S/C11H21ISi/c1-9-7-11(12)6-5-10(9)8-13(2,3)4/h11H,5-8H2,1-4H3
InChIKeyBORPWHBVPWMNQF-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-Heptylcyclopropen-1-yl)-trimethylsilane
CID 54762381
[(Z)-4-iodo-3-propylhept-3-enyl]-trimethylsilane
CID 134902255
[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane
CID 135010675
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
Silane, (2-hexyl-1-cyclopenten-1-yl)trimethyl-
CID 553181
Trimethyl-(2-methylcyclohexen-1-yl)silane
CID 10352091
2-Octyl-1-trimethylsilylcyclopropene
CID 11138789
(3,4-Dimethylcyclohex-3-en-1-yl)-tritritiosilane
CID 177095324
Trimethyl-(2-pentylcyclohexen-1-yl)silane
CID 10443628
(2-Butylcyclobuten-1-yl)-trimethylsilane
CID 10535451
[(E)-1-iodo-2-methyloct-1-enyl]-trimethylsilane
CID 12426813
Trimethyl[1-(2-methylcyclopent-1-en-1-yl)ethyl]silane
CID 15129638

Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane?
The IUPAC name of (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane (CID 71814081) is (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane.
What is the SMILES notation for (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane?
The canonical SMILES for (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane is CC1=C(C[Si](C)(C)C)CCC(I)C1.
What is the InChIKey of (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane?
The InChIKey is BORPWHBVPWMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ISi/c1-9-7-11(12)6-5-10(9)8-13(2,3)4/h11H,5-8H2,1-4H3.
What are the key properties of (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane?
(4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane has a molecular weight of 308.28 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane is sourced from PubChem (CID 71814081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).