(3-iodo-2-propylhex-2-enyl)-trimethylsilane

C12H25ISi — CID 71377005

IUPAC(3-iodo-2-propylhex-2-enyl)-trimethylsilane
SMILESCCCC(I)=C(CCC)C[Si](C)(C)C
InChIInChI=1S/C12H25ISi/c1-6-8-11(10-14(3,4)5)12(13)9-7-2/h6-10H2,1-5H3
InChIKeyNUKKSLARLJKBFL-UHFFFAOYSA-N
MW324.32 g/mol
LogP5.61
Rot. Bonds6

About (3-iodo-2-propylhex-2-enyl)-trimethylsilane

(3-iodo-2-propylhex-2-enyl)-trimethylsilane (PubChem CID 71377005) has the molecular formula C12H25ISi and a molecular weight of 324.32 g/mol. Its IUPAC name is (3-iodo-2-propylhex-2-enyl)-trimethylsilane.

Molecular Properties

Compound Name(3-iodo-2-propylhex-2-enyl)-trimethylsilane
PubChem CID71377005
Molecular FormulaC12H25ISi
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name(3-iodo-2-propylhex-2-enyl)-trimethylsilane
SMILESCCCC(I)=C(CCC)C[Si](C)(C)C
InChIInChI=1S/C12H25ISi/c1-6-8-11(10-14(3,4)5)12(13)9-7-2/h6-10H2,1-5H3
InChIKeyNUKKSLARLJKBFL-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.32
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 (3-iodo-2-propylhex-2-enyl)-trimethylsilane?
The IUPAC name of (3-iodo-2-propylhex-2-enyl)-trimethylsilane (CID 71377005) is (3-iodo-2-propylhex-2-enyl)-trimethylsilane.
What is the SMILES notation for (3-iodo-2-propylhex-2-enyl)-trimethylsilane?
The canonical SMILES for (3-iodo-2-propylhex-2-enyl)-trimethylsilane is CCCC(I)=C(CCC)C[Si](C)(C)C.
What is the InChIKey of (3-iodo-2-propylhex-2-enyl)-trimethylsilane?
The InChIKey is NUKKSLARLJKBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ISi/c1-6-8-11(10-14(3,4)5)12(13)9-7-2/h6-10H2,1-5H3.
What are the key properties of (3-iodo-2-propylhex-2-enyl)-trimethylsilane?
(3-iodo-2-propylhex-2-enyl)-trimethylsilane has a molecular weight of 324.32 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-2-propylhex-2-enyl)-trimethylsilane is sourced from PubChem (CID 71377005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).