1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene

C15H26O3 — CID 87166309

IUPAC1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene
SMILESCCC=COCC(COC=CCC)OC=CCC
InChIInChI=1S/C15H26O3/c1-4-7-10-16-13-15(18-12-9-6-3)14-17-11-8-5-2/h7-12,15H,4-6,13-14H2,1-3H3
InChIKeyTUGKQPBNDYEFFW-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.18
Rot. Bonds11

About 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene

1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene (PubChem CID 87166309) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene.

Molecular Properties

Compound Name1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene
PubChem CID87166309
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene
SMILESCCC=COCC(COC=CCC)OC=CCC
InChIInChI=1S/C15H26O3/c1-4-7-10-16-13-15(18-12-9-6-3)14-17-11-8-5-2/h7-12,15H,4-6,13-14H2,1-3H3
InChIKeyTUGKQPBNDYEFFW-UHFFFAOYSA-N
XLogP4.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene?
The IUPAC name of 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene (CID 87166309) is 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene.
What is the SMILES notation for 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene?
The canonical SMILES for 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene is CCC=COCC(COC=CCC)OC=CCC.
What is the InChIKey of 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene?
The InChIKey is TUGKQPBNDYEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-7-10-16-13-15(18-12-9-6-3)14-17-11-8-5-2/h7-12,15H,4-6,13-14H2,1-3H3.
What are the key properties of 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene?
1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene has a molecular weight of 254.37 g/mol, XLogP of 4.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(but-1-enoxy)propoxy]but-1-ene is sourced from PubChem (CID 87166309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).