4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane

C23H46O2 — CID 151971921

IUPAC4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane
SMILESCCC=COC(CCC)(CCCCCCCC)C(CC)(CC)OCC
InChIInChI=1S/C23H46O2/c1-7-13-15-16-17-18-20-23(19-9-3,25-21-14-8-2)22(10-4,11-5)24-12-6/h14,21H,7-13,15-20H2,1-6H3
InChIKeyUAVOVKJRCMRKNL-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.81
Rot. Bonds17

About 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane

4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane (PubChem CID 151971921) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane.

Molecular Properties

Compound Name4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane
PubChem CID151971921
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane
SMILESCCC=COC(CCC)(CCCCCCCC)C(CC)(CC)OCC
InChIInChI=1S/C23H46O2/c1-7-13-15-16-17-18-20-23(19-9-3,25-21-14-8-2)22(10-4,11-5)24-12-6/h14,21H,7-13,15-20H2,1-6H3
InChIKeyUAVOVKJRCMRKNL-UHFFFAOYSA-N
XLogP7.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane?
The IUPAC name of 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane (CID 151971921) is 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane.
What is the SMILES notation for 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane?
The canonical SMILES for 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane is CCC=COC(CCC)(CCCCCCCC)C(CC)(CC)OCC.
What is the InChIKey of 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane?
The InChIKey is UAVOVKJRCMRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-7-13-15-16-17-18-20-23(19-9-3,25-21-14-8-2)22(10-4,11-5)24-12-6/h14,21H,7-13,15-20H2,1-6H3.
What are the key properties of 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane?
4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane has a molecular weight of 354.62 g/mol, XLogP of 7.81, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enoxy-3-ethoxy-3-ethyl-4-propyldodecane is sourced from PubChem (CID 151971921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).