1-(1-iodo-3-methylbutyl)-1-phenylsiletane

C14H21ISi — CID 15024819

IUPAC1-(1-iodo-3-methylbutyl)-1-phenylsiletane
SMILESCC(C)CC(I)[Si]1(c2ccccc2)CCC1
InChIInChI=1S/C14H21ISi/c1-12(2)11-14(15)16(9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyHEHGWBKWRMMDMS-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.14
Rot. Bonds4

About 1-(1-iodo-3-methylbutyl)-1-phenylsiletane

1-(1-iodo-3-methylbutyl)-1-phenylsiletane (PubChem CID 15024819) has the molecular formula C14H21ISi and a molecular weight of 344.31 g/mol. Its IUPAC name is 1-(1-iodo-3-methylbutyl)-1-phenylsiletane.

Molecular Properties

Compound Name1-(1-iodo-3-methylbutyl)-1-phenylsiletane
PubChem CID15024819
Molecular FormulaC14H21ISi
Molecular Weight344.31 g/mol
Exact Mass344.05
IUPAC Name1-(1-iodo-3-methylbutyl)-1-phenylsiletane
SMILESCC(C)CC(I)[Si]1(c2ccccc2)CCC1
InChIInChI=1S/C14H21ISi/c1-12(2)11-14(15)16(9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyHEHGWBKWRMMDMS-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodo-3-methylbutyl)-1-phenylsiletane?
The IUPAC name of 1-(1-iodo-3-methylbutyl)-1-phenylsiletane (CID 15024819) is 1-(1-iodo-3-methylbutyl)-1-phenylsiletane.
What is the SMILES notation for 1-(1-iodo-3-methylbutyl)-1-phenylsiletane?
The canonical SMILES for 1-(1-iodo-3-methylbutyl)-1-phenylsiletane is CC(C)CC(I)[Si]1(c2ccccc2)CCC1.
What is the InChIKey of 1-(1-iodo-3-methylbutyl)-1-phenylsiletane?
The InChIKey is HEHGWBKWRMMDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ISi/c1-12(2)11-14(15)16(9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3.
What are the key properties of 1-(1-iodo-3-methylbutyl)-1-phenylsiletane?
1-(1-iodo-3-methylbutyl)-1-phenylsiletane has a molecular weight of 344.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-3-methylbutyl)-1-phenylsiletane is sourced from PubChem (CID 15024819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).