[(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium

C20H32I+ — CID 122375441

IUPAC[(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium
SMILESCCC/C=C/[I+]c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H32I/c1-8-9-10-11-21-20-18(15(4)5)12-17(14(2)3)13-19(20)16(6)7/h10-16H,8-9H2,1-7H3/q+1/b11-10+
InChIKeyDJMFMIOLSYNKRT-ZHACJKMWSA-N
MW399.38 g/mol
LogP3.63
Rot. Bonds7

About [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium

[(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium (PubChem CID 122375441) has the molecular formula C20H32I+ and a molecular weight of 399.38 g/mol. Its IUPAC name is [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium.

Molecular Properties

Compound Name[(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium
PubChem CID122375441
Molecular FormulaC20H32I+
Molecular Weight399.38 g/mol
Exact Mass399.15
IUPAC Name[(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium
SMILESCCC/C=C/[I+]c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H32I/c1-8-9-10-11-21-20-18(15(4)5)12-17(14(2)3)13-19(20)16(6)7/h10-16H,8-9H2,1-7H3/q+1/b11-10+
InChIKeyDJMFMIOLSYNKRT-ZHACJKMWSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
The IUPAC name of [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium (CID 122375441) is [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium.
What is the SMILES notation for [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
The canonical SMILES for [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium is CCC/C=C/[I+]c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
The InChIKey is DJMFMIOLSYNKRT-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H32I/c1-8-9-10-11-21-20-18(15(4)5)12-17(14(2)3)13-19(20)16(6)7/h10-16H,8-9H2,1-7H3/q+1/b11-10+.
What are the key properties of [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
[(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium has a molecular weight of 399.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-1-enyl]-[2,4,6-tri(propan-2-yl)phenyl]iodanium is sourced from PubChem (CID 122375441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).