2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid

C15H32O11S — CID 88726836

IUPAC2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
SMILESC=CCOCCOCCOCCOCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C15H30O7.H2O4S/c1-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16;1-5(2,3)4/h2,16H,1,3-15H2;(H2,1,2,3,4)
InChIKeyNCFRRCPXIXMLED-UHFFFAOYSA-N
MW420.48 g/mol
LogP-0.39
Rot. Bonds19

About 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid

2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid (PubChem CID 88726836) has the molecular formula C15H32O11S and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
PubChem CID88726836
Molecular FormulaC15H32O11S
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
SMILESC=CCOCCOCCOCCOCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C15H30O7.H2O4S/c1-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16;1-5(2,3)4/h2,16H,1,3-15H2;(H2,1,2,3,4)
InChIKeyNCFRRCPXIXMLED-UHFFFAOYSA-N
XLogP-0.39
TPSA150.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid
CID 173133422
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
CID 159515193
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
CID 173410015
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
The IUPAC name of 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid (CID 88726836) is 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid is C=CCOCCOCCOCCOCCOCCOCCO.O=S(=O)(O)O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
The InChIKey is NCFRRCPXIXMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7.H2O4S/c1-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16;1-5(2,3)4/h2,16H,1,3-15H2;(H2,1,2,3,4).
What are the key properties of 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid has a molecular weight of 420.48 g/mol, XLogP of -0.39, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid is sourced from PubChem (CID 88726836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).