1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane

C20H38O9 — CID 22723761

IUPAC1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane
SMILESC=C(OC(=C)OC(C)OC(C)(OCC)OCC)OC(C)OC(C)(OCC)OCC
InChIInChI=1S/C20H38O9/c1-11-21-19(9,22-12-2)28-17(7)26-15(5)25-16(6)27-18(8)29-20(10,23-13-3)24-14-4/h17-18H,5-6,11-14H2,1-4,7-10H3
InChIKeySHIHCIDUHXYMTM-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.20
Rot. Bonds18

About 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane

1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane (PubChem CID 22723761) has the molecular formula C20H38O9 and a molecular weight of 422.52 g/mol. Its IUPAC name is 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane.

Molecular Properties

Compound Name1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane
PubChem CID22723761
Molecular FormulaC20H38O9
Molecular Weight422.52 g/mol
Exact Mass422.25
IUPAC Name1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane
SMILESC=C(OC(=C)OC(C)OC(C)(OCC)OCC)OC(C)OC(C)(OCC)OCC
InChIInChI=1S/C20H38O9/c1-11-21-19(9,22-12-2)28-17(7)26-15(5)25-16(6)27-18(8)29-20(10,23-13-3)24-14-4/h17-18H,5-6,11-14H2,1-4,7-10H3
InChIKeySHIHCIDUHXYMTM-UHFFFAOYSA-N
XLogP4.20
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane?
The IUPAC name of 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane (CID 22723761) is 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane.
What is the SMILES notation for 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane?
The canonical SMILES for 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane is C=C(OC(=C)OC(C)OC(C)(OCC)OCC)OC(C)OC(C)(OCC)OCC.
What is the InChIKey of 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane?
The InChIKey is SHIHCIDUHXYMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O9/c1-11-21-19(9,22-12-2)28-17(7)26-15(5)25-16(6)27-18(8)29-20(10,23-13-3)24-14-4/h17-18H,5-6,11-14H2,1-4,7-10H3.
What are the key properties of 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane?
1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane has a molecular weight of 422.52 g/mol, XLogP of 4.20, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-[1-(1,1-diethoxyethoxy)ethoxy]ethenoxy]ethenoxy]ethoxy]-1,1-diethoxyethane is sourced from PubChem (CID 22723761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).