2-(hex-5-enoxymethyl)oxirane

C9H16O2 — CID 22934445

IUPAC2-(hex-5-enoxymethyl)oxirane
SMILESC=CCCCCOCC1CO1
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-10-7-9-8-11-9/h2,9H,1,3-8H2
InChIKeyGNQMALXEWPPRPC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds7

About 2-(hex-5-enoxymethyl)oxirane

2-(hex-5-enoxymethyl)oxirane (PubChem CID 22934445) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(hex-5-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(hex-5-enoxymethyl)oxirane
PubChem CID22934445
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(hex-5-enoxymethyl)oxirane
SMILESC=CCCCCOCC1CO1
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-10-7-9-8-11-9/h2,9H,1,3-8H2
InChIKeyGNQMALXEWPPRPC-UHFFFAOYSA-N
XLogP1.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, [(10-undecenyloxy)methyl]-
CID 10353667
2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 11195175
Dec-9-enyl glycidyl ether
CID 85768839
(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane
CID 146169551
(2R,3R)-2-(ethoxymethyl)-3-hept-6-enyloxirane
CID 146169552
1-(Oxiran-2-yl)but-3-enyl hypofluorite
CID 177923649
2-[[(E)-hex-1-enoxy]methyl]oxirane
CID 21225218
2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 21811784
Oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 22281013
2-(Hept-6-enoxymethyl)oxirane
CID 22934435
2-(Oct-7-enoxymethyl)oxirane
CID 22934454
2-(Pent-4-enoxymethyl)oxirane
CID 23466507

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-enoxymethyl)oxirane?
The IUPAC name of 2-(hex-5-enoxymethyl)oxirane (CID 22934445) is 2-(hex-5-enoxymethyl)oxirane.
What is the SMILES notation for 2-(hex-5-enoxymethyl)oxirane?
The canonical SMILES for 2-(hex-5-enoxymethyl)oxirane is C=CCCCCOCC1CO1.
What is the InChIKey of 2-(hex-5-enoxymethyl)oxirane?
The InChIKey is GNQMALXEWPPRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-10-7-9-8-11-9/h2,9H,1,3-8H2.
What are the key properties of 2-(hex-5-enoxymethyl)oxirane?
2-(hex-5-enoxymethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-enoxymethyl)oxirane is sourced from PubChem (CID 22934445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).