2-[[(E)-hex-1-enoxy]methyl]oxirane

C9H16O2 — CID 21225218

IUPAC2-[[(E)-hex-1-enoxy]methyl]oxirane
SMILESCCCC/C=C/OCC1CO1
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-10-7-9-8-11-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
InChIKeyXGHFSFLUXZYQEQ-AATRIKPKSA-N
MW156.23 g/mol
LogP2.11
Rot. Bonds6

About 2-[[(E)-hex-1-enoxy]methyl]oxirane

2-[[(E)-hex-1-enoxy]methyl]oxirane (PubChem CID 21225218) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[[(E)-hex-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-hex-1-enoxy]methyl]oxirane
PubChem CID21225218
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name2-[[(E)-hex-1-enoxy]methyl]oxirane
SMILESCCCC/C=C/OCC1CO1
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-10-7-9-8-11-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
InChIKeyXGHFSFLUXZYQEQ-AATRIKPKSA-N
XLogP2.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.11
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-hexadec-1-enoxy]methyl]oxirane
CID 12270603
2-[1-[(E)-but-1-enoxy]butyl]oxirane
CID 19753507
2-[[(E)-oct-1-enoxy]methyl]oxirane
CID 21188340
2-[[(E)-undec-1-enoxy]methyl]oxirane
CID 21225215
2-[[(E)-non-1-enoxy]methyl]oxirane
CID 21225230
2-[[(E)-pentadec-1-enoxy]methyl]oxirane
CID 21225233
2-[[(E)-but-1-enoxy]methyl]oxirane
CID 21225241
2-[[(E)-tetradec-1-enoxy]methyl]oxirane
CID 21225248
2-[[(E)-octadec-1-enoxy]methyl]oxirane
CID 21225252
2-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
2-(But-1-enoxymethyl)oxirane
CID 54184700

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hex-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-hex-1-enoxy]methyl]oxirane (CID 21225218) is 2-[[(E)-hex-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-hex-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-hex-1-enoxy]methyl]oxirane is CCCC/C=C/OCC1CO1.
What is the InChIKey of 2-[[(E)-hex-1-enoxy]methyl]oxirane?
The InChIKey is XGHFSFLUXZYQEQ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-10-7-9-8-11-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+.
What are the key properties of 2-[[(E)-hex-1-enoxy]methyl]oxirane?
2-[[(E)-hex-1-enoxy]methyl]oxirane has a molecular weight of 156.23 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hex-1-enoxy]methyl]oxirane is sourced from PubChem (CID 21225218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).