2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid

C15H28O8 — CID 175565416

IUPAC2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
SMILESC=C(OC(C)OC(C)OC(C)OC(C)OC(C)OCC)C(=O)O
InChIInChI=1S/C15H28O8/c1-8-18-10(3)20-12(5)22-14(7)23-13(6)21-11(4)19-9(2)15(16)17/h10-14H,2,8H2,1,3-7H3,(H,16,17)
InChIKeyKQRVTZVQXGQNIM-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.43
Rot. Bonds13

About 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid

2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid (PubChem CID 175565416) has the molecular formula C15H28O8 and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid.

Molecular Properties

Compound Name2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
PubChem CID175565416
Molecular FormulaC15H28O8
Molecular Weight336.38 g/mol
Exact Mass336.18
IUPAC Name2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
SMILESC=C(OC(C)OC(C)OC(C)OC(C)OC(C)OCC)C(=O)O
InChIInChI=1S/C15H28O8/c1-8-18-10(3)20-12(5)22-14(7)23-13(6)21-11(4)19-9(2)15(16)17/h10-14H,2,8H2,1,3-7H3,(H,16,17)
InChIKeyKQRVTZVQXGQNIM-UHFFFAOYSA-N
XLogP2.43
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
carbonic acid;1,1-diethoxyethane
CID 87827362
2-butan-2-yloxyprop-2-enoic acid
CID 87059295
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
1-ethoxyethyl 2-ethoxyprop-2-enoate
CID 23499661
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847
5-(1-ethoxyethoxy)-2-methylidenepentanoic acid
CID 54436382
1-ethoxyethyl 6-methyl-5-oxohept-6-enoate
CID 23553998
1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 87974815
bis[1-(1-ethoxyethoxy)ethyl] benzene-1,3-dicarboxylate
CID 121376026
1,1-diethoxyethane
CID 7765

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid?
The IUPAC name of 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid (CID 175565416) is 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid.
What is the SMILES notation for 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid?
The canonical SMILES for 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid is C=C(OC(C)OC(C)OC(C)OC(C)OC(C)OCC)C(=O)O.
What is the InChIKey of 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid?
The InChIKey is KQRVTZVQXGQNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O8/c1-8-18-10(3)20-12(5)22-14(7)23-13(6)21-11(4)19-9(2)15(16)17/h10-14H,2,8H2,1,3-7H3,(H,16,17).
What are the key properties of 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid?
2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid has a molecular weight of 336.38 g/mol, XLogP of 2.43, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid is sourced from PubChem (CID 175565416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).