[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane

C16H31ISi — CID 10068219

IUPAC[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane
SMILESCC(C)(C)C[C@]1(/C=C\[Si](C)(C)C)CCC[C@H]1CI
InChIInChI=1S/C16H31ISi/c1-15(2,3)13-16(10-11-18(4,5)6)9-7-8-14(16)12-17/h10-11,14H,7-9,12-13H2,1-6H3/b11-10-/t14-,16+/m0/s1
InChIKeyMRLCNFGWMAYQRO-XKFLJWQCSA-N
MW378.41 g/mol
LogP6.08
Rot. Bonds4

About [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane

[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane (PubChem CID 10068219) has the molecular formula C16H31ISi and a molecular weight of 378.41 g/mol. Its IUPAC name is [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane
PubChem CID10068219
Molecular FormulaC16H31ISi
Molecular Weight378.41 g/mol
Exact Mass378.12
IUPAC Name[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane
SMILESCC(C)(C)C[C@]1(/C=C\[Si](C)(C)C)CCC[C@H]1CI
InChIInChI=1S/C16H31ISi/c1-15(2,3)13-16(10-11-18(4,5)6)9-7-8-14(16)12-17/h10-11,14H,7-9,12-13H2,1-6H3/b11-10-/t14-,16+/m0/s1
InChIKeyMRLCNFGWMAYQRO-XKFLJWQCSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 56.08
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'}

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Related Compounds

2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116740641
1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane
CID 59620662
2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane
CID 10092051
1-tert-butyl-1-methyl-2-propylcyclohexane
CID 163211328
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
CID 19857490
1-(2,2-dimethylpropyl)-2-methylcyclopropan-1-amine
CID 79333729
1,2-diethylcyclohexane-1-carbaldehyde
CID 138734421
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
CID 79586556
1,2-diethylcyclododecane-1-carbaldehyde
CID 138734450
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762266

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane?
The IUPAC name of [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane (CID 10068219) is [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane.
What is the SMILES notation for [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane?
The canonical SMILES for [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane is CC(C)(C)C[C@]1(/C=C\[Si](C)(C)C)CCC[C@H]1CI.
What is the InChIKey of [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane?
The InChIKey is MRLCNFGWMAYQRO-XKFLJWQCSA-N. The full InChI is InChI=1S/C16H31ISi/c1-15(2,3)13-16(10-11-18(4,5)6)9-7-8-14(16)12-17/h10-11,14H,7-9,12-13H2,1-6H3/b11-10-/t14-,16+/m0/s1.
What are the key properties of [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane?
[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane has a molecular weight of 378.41 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane is sourced from PubChem (CID 10068219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).