[(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane

C17H33IOSi — CID 101009001

IUPAC[(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCC(C)(C)C=C1I)(C(C)C)C(C)C
InChIInChI=1S/C17H33IOSi/c1-12(2)20(13(3)4,14(5)6)19-16-9-10-17(7,8)11-15(16)18/h11-14,16H,9-10H2,1-8H3/t16-/m1/s1
InChIKeyGPDNCZSCSUQXRE-MRXNPFEDSA-N
MW408.44 g/mol
LogP6.69
Rot. Bonds5

About [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane

[(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101009001) has the molecular formula C17H33IOSi and a molecular weight of 408.44 g/mol. Its IUPAC name is [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID101009001
Molecular FormulaC17H33IOSi
Molecular Weight408.44 g/mol
Exact Mass408.13
IUPAC Name[(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCC(C)(C)C=C1I)(C(C)C)C(C)C
InChIInChI=1S/C17H33IOSi/c1-12(2)20(13(3)4,14(5)6)19-16-9-10-17(7,8)11-15(16)18/h11-14,16H,9-10H2,1-8H3/t16-/m1/s1
InChIKeyGPDNCZSCSUQXRE-MRXNPFEDSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane (CID 101009001) is [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1CCC(C)(C)C=C1I)(C(C)C)C(C)C.
What is the InChIKey of [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is GPDNCZSCSUQXRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H33IOSi/c1-12(2)20(13(3)4,14(5)6)19-16-9-10-17(7,8)11-15(16)18/h11-14,16H,9-10H2,1-8H3/t16-/m1/s1.
What are the key properties of [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane?
[(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 408.44 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).