2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene

C26H38Cl2O8 — CID 10554662

IUPAC2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
SMILESClCCOCCOCCOCCOc1ccc2cc(OCCOCCOCCOCCCl)ccc2c1
InChIInChI=1S/C26H38Cl2O8/c27-5-7-29-9-11-31-13-15-33-17-19-35-25-3-1-23-21-26(4-2-24(23)22-25)36-20-18-34-16-14-32-12-10-30-8-6-28/h1-4,21-22H,5-20H2
InChIKeySVWSWANSXJGVBS-UHFFFAOYSA-N
MW549.49 g/mol
LogP4.17
Rot. Bonds24

About 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene

2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene (PubChem CID 10554662) has the molecular formula C26H38Cl2O8 and a molecular weight of 549.49 g/mol. Its IUPAC name is 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene.

Molecular Properties

Compound Name2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
PubChem CID10554662
Molecular FormulaC26H38Cl2O8
Molecular Weight549.49 g/mol
Exact Mass548.19
IUPAC Name2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
SMILESClCCOCCOCCOCCOc1ccc2cc(OCCOCCOCCOCCCl)ccc2c1
InChIInChI=1S/C26H38Cl2O8/c27-5-7-29-9-11-31-13-15-33-17-19-35-25-3-1-23-21-26(4-2-24(23)22-25)36-20-18-34-16-14-32-12-10-30-8-6-28/h1-4,21-22H,5-20H2
InChIKeySVWSWANSXJGVBS-UHFFFAOYSA-N
XLogP4.17
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
CID 6420971
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
CID 63665656
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-naphthalen-2-yloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23534221
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
1,4-bis(3-chloropropoxy)benzene
CID 20523958

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene?
The IUPAC name of 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene (CID 10554662) is 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene.
What is the SMILES notation for 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene?
The canonical SMILES for 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene is ClCCOCCOCCOCCOc1ccc2cc(OCCOCCOCCOCCCl)ccc2c1.
What is the InChIKey of 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene?
The InChIKey is SVWSWANSXJGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Cl2O8/c27-5-7-29-9-11-31-13-15-33-17-19-35-25-3-1-23-21-26(4-2-24(23)22-25)36-20-18-34-16-14-32-12-10-30-8-6-28/h1-4,21-22H,5-20H2.
What are the key properties of 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene?
2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene has a molecular weight of 549.49 g/mol, XLogP of 4.17, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene is sourced from PubChem (CID 10554662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).