disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate

C10H18Na2O7S — CID 173410015

IUPACdisodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
SMILESC=CCOCCOCCOCC=C.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C10H18O3.2Na.H2O4S/c1-3-5-11-7-9-13-10-8-12-6-4-2;;;1-5(2,3)4/h3-4H,1-2,5-10H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyJYOAIGPFGJNUEB-UHFFFAOYSA-L
MW328.29 g/mol
LogP-5.92
Rot. Bonds10

About disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate

disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate (PubChem CID 173410015) has the molecular formula C10H18Na2O7S and a molecular weight of 328.29 g/mol. Its IUPAC name is disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate.

Molecular Properties

Compound Namedisodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
PubChem CID173410015
Molecular FormulaC10H18Na2O7S
Molecular Weight328.29 g/mol
Exact Mass328.06
IUPAC Namedisodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
SMILESC=CCOCCOCCOCC=C.O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C10H18O3.2Na.H2O4S/c1-3-5-11-7-9-13-10-8-12-6-4-2;;;1-5(2,3)4/h3-4H,1-2,5-10H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyJYOAIGPFGJNUEB-UHFFFAOYSA-L
XLogP-5.92
TPSA107.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 5-5.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

dipotassium;3-prop-2-enoxyprop-1-ene;sulfate
CID 173463307
magnesium;3-prop-2-enoxyprop-1-ene;sulfate
CID 87083397
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
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
3-prop-2-enoxypropane-1-sulfonate
CID 3556888
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
sodium prop-2-enoxy sulfate
CID 138633937
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
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985

Frequently Asked Questions

What is the IUPAC name of disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate?
The IUPAC name of disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate (CID 173410015) is disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate.
What is the SMILES notation for disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate?
The canonical SMILES for disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate is C=CCOCCOCCOCC=C.O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate?
The InChIKey is JYOAIGPFGJNUEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18O3.2Na.H2O4S/c1-3-5-11-7-9-13-10-8-12-6-4-2;;;1-5(2,3)4/h3-4H,1-2,5-10H2;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate?
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate has a molecular weight of 328.29 g/mol, XLogP of -5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate is sourced from PubChem (CID 173410015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).