2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane

C16H26O3 — CID 56997051

IUPAC2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane
SMILESC=CCC(OC(CC=C)C1CCCO1)C1CCCO1
InChIInChI=1S/C16H26O3/c1-3-7-15(13-9-5-11-17-13)19-16(8-4-2)14-10-6-12-18-14/h3-4,13-16H,1-2,5-12H2
InChIKeyPPCRXQKGHFLONJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.25
Rot. Bonds8

About 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane

2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane (PubChem CID 56997051) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane.

Molecular Properties

Compound Name2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane
PubChem CID56997051
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane
SMILESC=CCC(OC(CC=C)C1CCCO1)C1CCCO1
InChIInChI=1S/C16H26O3/c1-3-7-15(13-9-5-11-17-13)19-16(8-4-2)14-10-6-12-18-14/h3-4,13-16H,1-2,5-12H2
InChIKeyPPCRXQKGHFLONJ-UHFFFAOYSA-N
XLogP3.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane?
The IUPAC name of 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane (CID 56997051) is 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane.
What is the SMILES notation for 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane?
The canonical SMILES for 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane is C=CCC(OC(CC=C)C1CCCO1)C1CCCO1.
What is the InChIKey of 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane?
The InChIKey is PPCRXQKGHFLONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-7-15(13-9-5-11-17-13)19-16(8-4-2)14-10-6-12-18-14/h3-4,13-16H,1-2,5-12H2.
What are the key properties of 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane?
2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane has a molecular weight of 266.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(oxolan-2-yl)but-3-enoxy]but-3-enyl]oxolane is sourced from PubChem (CID 56997051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).