2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol

C33H48O14 — CID 126515156

IUPAC2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol
SMILESCCCOCCOCCOc1cc2c(cc1OCCOCCOCCOCCOc1cc3c(cc1OCCO)OCCO3)OCCO2
InChIInChI=1S/C33H48O14/c1-2-4-35-6-7-37-12-16-42-28-24-32-33(47-21-20-46-32)25-29(28)43-17-14-39-11-9-36-8-10-38-13-15-41-27-23-31-30(44-18-19-45-31)22-26(27)40-5-3-34/h22-25,34H,2-21H2,1H3
InChIKeyWCCHFYJJWDFRRY-UHFFFAOYSA-N
MW668.73 g/mol
LogP2.93
Rot. Bonds26

About 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol

2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol (PubChem CID 126515156) has the molecular formula C33H48O14 and a molecular weight of 668.73 g/mol. Its IUPAC name is 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol
PubChem CID126515156
Molecular FormulaC33H48O14
Molecular Weight668.73 g/mol
Exact Mass668.30
IUPAC Name2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol
SMILESCCCOCCOCCOc1cc2c(cc1OCCOCCOCCOCCOc1cc3c(cc1OCCO)OCCO3)OCCO2
InChIInChI=1S/C33H48O14/c1-2-4-35-6-7-37-12-16-42-28-24-32-33(47-21-20-46-32)25-29(28)43-17-14-39-11-9-36-8-10-38-13-15-41-27-23-31-30(44-18-19-45-31)22-26(27)40-5-3-34/h22-25,34H,2-21H2,1H3
InChIKeyWCCHFYJJWDFRRY-UHFFFAOYSA-N
XLogP2.93
TPSA140.22 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol with MolForge

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Related Compounds

6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43247834
6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 55011970
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103400876
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
CID 170242933
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 112587056
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
17,18-bis(3,4-diheptoxyphenyl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 101397086
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethoxy]ethanol
CID 78994247

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol?
The IUPAC name of 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol (CID 126515156) is 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol.
What is the SMILES notation for 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol?
The canonical SMILES for 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol is CCCOCCOCCOc1cc2c(cc1OCCOCCOCCOCCOc1cc3c(cc1OCCO)OCCO3)OCCO2.
What is the InChIKey of 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol?
The InChIKey is WCCHFYJJWDFRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O14/c1-2-4-35-6-7-37-12-16-42-28-24-32-33(47-21-20-46-32)25-29(28)43-17-14-39-11-9-36-8-10-38-13-15-41-27-23-31-30(44-18-19-45-31)22-26(27)40-5-3-34/h22-25,34H,2-21H2,1H3.
What are the key properties of 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol?
2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol has a molecular weight of 668.73 g/mol, XLogP of 2.93, 26 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol is sourced from PubChem (CID 126515156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).