2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene

C32H36I2O6 — CID 12994979

IUPAC2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene
SMILESICCOCCOCCOc1ccc2ccccc2c1-c1c(OCCOCCOCCI)ccc2ccccc12
InChIInChI=1S/C32H36I2O6/c33-13-15-35-17-19-37-21-23-39-29-11-9-25-5-1-3-7-27(25)31(29)32-28-8-4-2-6-26(28)10-12-30(32)40-24-22-38-20-18-36-16-14-34/h1-12H,13-24H2
InChIKeyULYWALSWURTHTP-UHFFFAOYSA-N
MW770.44 g/mol
LogP7.35
Rot. Bonds19

About 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene

2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene (PubChem CID 12994979) has the molecular formula C32H36I2O6 and a molecular weight of 770.44 g/mol. Its IUPAC name is 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene
PubChem CID12994979
Molecular FormulaC32H36I2O6
Molecular Weight770.44 g/mol
Exact Mass770.06
IUPAC Name2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene
SMILESICCOCCOCCOc1ccc2ccccc2c1-c1c(OCCOCCOCCI)ccc2ccccc12
InChIInChI=1S/C32H36I2O6/c33-13-15-35-17-19-37-21-23-39-29-11-9-25-5-1-3-7-27(25)31(29)32-28-8-4-2-6-26(28)10-12-30(32)40-24-22-38-20-18-36-16-14-34/h1-12H,13-24H2
InChIKeyULYWALSWURTHTP-UHFFFAOYSA-N
XLogP7.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.44
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
The IUPAC name of 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene (CID 12994979) is 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene is ICCOCCOCCOc1ccc2ccccc2c1-c1c(OCCOCCOCCI)ccc2ccccc12.
What is the InChIKey of 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
The InChIKey is ULYWALSWURTHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36I2O6/c33-13-15-35-17-19-37-21-23-39-29-11-9-25-5-1-3-7-27(25)31(29)32-28-8-4-2-6-26(28)10-12-30(32)40-24-22-38-20-18-36-16-14-34/h1-12H,13-24H2.
What are the key properties of 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene has a molecular weight of 770.44 g/mol, XLogP of 7.35, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 12994979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).