1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene

C28H42O10 — CID 53342216

IUPAC1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
SMILESC#CCOCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOCC#C)cc1
InChIInChI=1S/C28H42O10/c1-3-9-29-11-13-31-15-17-33-19-21-35-23-25-37-27-5-7-28(8-6-27)38-26-24-36-22-20-34-18-16-32-14-12-30-10-4-2/h1-2,5-8H,9-26H2
InChIKeySUMFUOQNXLIPLT-UHFFFAOYSA-N
MW538.63 g/mol
LogP1.84
Rot. Bonds28

About 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene

1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene (PubChem CID 53342216) has the molecular formula C28H42O10 and a molecular weight of 538.63 g/mol. Its IUPAC name is 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
PubChem CID53342216
Molecular FormulaC28H42O10
Molecular Weight538.63 g/mol
Exact Mass538.28
IUPAC Name1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
SMILESC#CCOCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOCC#C)cc1
InChIInChI=1S/C28H42O10/c1-3-9-29-11-13-31-15-17-33-19-21-35-23-25-37-27-5-7-28(8-6-27)38-26-24-36-22-20-34-18-16-32-14-12-30-10-4-2/h1-2,5-8H,9-26H2
InChIKeySUMFUOQNXLIPLT-UHFFFAOYSA-N
XLogP1.84
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-prop-2-ynoxyethoxy)phenyl]methanol
CID 155391194
2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
CID 166304036
1-nitro-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 171646680
2-methyl-3-[4-[2-[4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]propan-1-ol
CID 161230478
1-methoxy-4-[4-(6-prop-2-ynoxyhexoxy)phenyl]benzene
CID 100928934
3-(aminomethylsulfanyl)-3-[4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]phenyl]propanal
CID 142303248
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564
1-[4-(2-prop-2-ynoxyethoxy)benzoyl]azetidin-2-one
CID 58559487
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene (CID 53342216) is 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene is C#CCOCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOCC#C)cc1.
What is the InChIKey of 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene?
The InChIKey is SUMFUOQNXLIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O10/c1-3-9-29-11-13-31-15-17-33-19-21-35-23-25-37-27-5-7-28(8-6-27)38-26-24-36-22-20-34-18-16-32-14-12-30-10-4-2/h1-2,5-8H,9-26H2.
What are the key properties of 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene?
1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene has a molecular weight of 538.63 g/mol, XLogP of 1.84, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 53342216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).