2-[1-[(E)-but-1-enoxy]butyl]oxirane

C10H18O2 — CID 19753507

IUPAC2-[1-[(E)-but-1-enoxy]butyl]oxirane
SMILESCC/C=C/OC(CCC)C1CO1
InChIInChI=1S/C10H18O2/c1-3-5-7-11-9(6-4-2)10-8-12-10/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyUSPBMSHHQALSRL-FNORWQNLSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds6

About 2-[1-[(E)-but-1-enoxy]butyl]oxirane

2-[1-[(E)-but-1-enoxy]butyl]oxirane (PubChem CID 19753507) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[1-[(E)-but-1-enoxy]butyl]oxirane.

Molecular Properties

Compound Name2-[1-[(E)-but-1-enoxy]butyl]oxirane
PubChem CID19753507
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[1-[(E)-but-1-enoxy]butyl]oxirane
SMILESCC/C=C/OC(CCC)C1CO1
InChIInChI=1S/C10H18O2/c1-3-5-7-11-9(6-4-2)10-8-12-10/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyUSPBMSHHQALSRL-FNORWQNLSA-N
XLogP2.49
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-1-enoxy]butyl]oxirane?
The IUPAC name of 2-[1-[(E)-but-1-enoxy]butyl]oxirane (CID 19753507) is 2-[1-[(E)-but-1-enoxy]butyl]oxirane.
What is the SMILES notation for 2-[1-[(E)-but-1-enoxy]butyl]oxirane?
The canonical SMILES for 2-[1-[(E)-but-1-enoxy]butyl]oxirane is CC/C=C/OC(CCC)C1CO1.
What is the InChIKey of 2-[1-[(E)-but-1-enoxy]butyl]oxirane?
The InChIKey is USPBMSHHQALSRL-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-7-11-9(6-4-2)10-8-12-10/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of 2-[1-[(E)-but-1-enoxy]butyl]oxirane?
2-[1-[(E)-but-1-enoxy]butyl]oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-1-enoxy]butyl]oxirane is sourced from PubChem (CID 19753507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).