1,4-didodecoxy-2,5-diiodobenzene

C30H52I2O2 — CID 11422607

IUPAC1,4-didodecoxy-2,5-diiodobenzene
SMILESCCCCCCCCCCCCOc1cc(I)c(OCCCCCCCCCCCC)cc1I
InChIInChI=1S/C30H52I2O2/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-25-28(32)30(26-27(29)31)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyUYVOFGKXIVCZCO-UHFFFAOYSA-N
MW698.55 g/mol
LogP11.50
Rot. Bonds24

About 1,4-didodecoxy-2,5-diiodobenzene

1,4-didodecoxy-2,5-diiodobenzene (PubChem CID 11422607) has the molecular formula C30H52I2O2 and a molecular weight of 698.55 g/mol. Its IUPAC name is 1,4-didodecoxy-2,5-diiodobenzene.

Molecular Properties

Compound Name1,4-didodecoxy-2,5-diiodobenzene
PubChem CID11422607
Molecular FormulaC30H52I2O2
Molecular Weight698.55 g/mol
Exact Mass698.21
IUPAC Name1,4-didodecoxy-2,5-diiodobenzene
SMILESCCCCCCCCCCCCOc1cc(I)c(OCCCCCCCCCCCC)cc1I
InChIInChI=1S/C30H52I2O2/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-25-28(32)30(26-27(29)31)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyUYVOFGKXIVCZCO-UHFFFAOYSA-N
XLogP11.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.55
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-didodecoxy-2,5-diiodobenzene?
The IUPAC name of 1,4-didodecoxy-2,5-diiodobenzene (CID 11422607) is 1,4-didodecoxy-2,5-diiodobenzene.
What is the SMILES notation for 1,4-didodecoxy-2,5-diiodobenzene?
The canonical SMILES for 1,4-didodecoxy-2,5-diiodobenzene is CCCCCCCCCCCCOc1cc(I)c(OCCCCCCCCCCCC)cc1I.
What is the InChIKey of 1,4-didodecoxy-2,5-diiodobenzene?
The InChIKey is UYVOFGKXIVCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52I2O2/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-25-28(32)30(26-27(29)31)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3.
What are the key properties of 1,4-didodecoxy-2,5-diiodobenzene?
1,4-didodecoxy-2,5-diiodobenzene has a molecular weight of 698.55 g/mol, XLogP of 11.50, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-didodecoxy-2,5-diiodobenzene is sourced from PubChem (CID 11422607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).