2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene

C14H28O4 — CID 130469196

IUPAC2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene
SMILESC=C(C)CCOCCOCCOCCOCCC
InChIInChI=1S/C14H28O4/c1-4-6-15-8-10-17-12-13-18-11-9-16-7-5-14(2)3/h2,4-13H2,1,3H3
InChIKeyXVOPAZLDFHMFSB-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.43
Rot. Bonds14

About 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene

2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene (PubChem CID 130469196) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene.

Molecular Properties

Compound Name2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene
PubChem CID130469196
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene
SMILESC=C(C)CCOCCOCCOCCOCCC
InChIInChI=1S/C14H28O4/c1-4-6-15-8-10-17-12-13-18-11-9-16-7-5-14(2)3/h2,4-13H2,1,3H3
InChIKeyXVOPAZLDFHMFSB-UHFFFAOYSA-N
XLogP2.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene?
The IUPAC name of 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene (CID 130469196) is 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene.
What is the SMILES notation for 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene?
The canonical SMILES for 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene is C=C(C)CCOCCOCCOCCOCCC.
What is the InChIKey of 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene?
The InChIKey is XVOPAZLDFHMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-4-6-15-8-10-17-12-13-18-11-9-16-7-5-14(2)3/h2,4-13H2,1,3H3.
What are the key properties of 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene?
2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene has a molecular weight of 260.37 g/mol, XLogP of 2.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]but-1-ene is sourced from PubChem (CID 130469196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).