2-hex-3-enoxyoxane

C11H20O2 — CID 3021738

IUPAC2-hex-3-enoxyoxane
SMILESCCC=CCCOC1CCCCO1
InChIInChI=1S/C11H20O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-4,11H,2,5-10H2,1H3
InChIKeySHZPEANSFIKVFI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

About 2-hex-3-enoxyoxane

2-hex-3-enoxyoxane (PubChem CID 3021738) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-hex-3-enoxyoxane.

Molecular Properties

Compound Name2-hex-3-enoxyoxane
PubChem CID3021738
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-hex-3-enoxyoxane
SMILESCCC=CCCOC1CCCCO1
InChIInChI=1S/C11H20O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-4,11H,2,5-10H2,1H3
InChIKeySHZPEANSFIKVFI-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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'}

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Related Compounds

2H-Pyran, tetrahydro-2-[(6Z)-6-nonen-2-yn-1-yloxy]-
CID 177843239
2-But-3-enoxyoxane
CID 319945
(8Z,11Z)-1-(tetrahydropyran-2-yloxy)-8,11-tetradecadien-3-yne
CID 10989926
2H-Pyran, 2-(5-hexenyloxy)tetrahydro-
CID 11183036
2-[(E)-dodec-5-en-7-ynoxy]oxane
CID 12819518
trimethyl-[(Z)-6-(oxan-2-yloxy)hex-2-enyl]silane
CID 15103855
2-[(5E,7Z)-dodeca-5,7-dienoxy]oxane
CID 134979830
7-(Tetrahydro-2h-pyran-2-yloxy)hept-3-en-1-ol
CID 282165
3-Cyclopentenol tetrahydropyranyl ether
CID 14684775
(4Z)-1-(tetrahydropyran-2-yloxy)-4-decene
CID 67591886
2-(Eicosa-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 72205194
2-(Hexadeca-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 102529603

Frequently Asked Questions

What is the IUPAC name of 2-hex-3-enoxyoxane?
The IUPAC name of 2-hex-3-enoxyoxane (CID 3021738) is 2-hex-3-enoxyoxane.
What is the SMILES notation for 2-hex-3-enoxyoxane?
The canonical SMILES for 2-hex-3-enoxyoxane is CCC=CCCOC1CCCCO1.
What is the InChIKey of 2-hex-3-enoxyoxane?
The InChIKey is SHZPEANSFIKVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 2-hex-3-enoxyoxane?
2-hex-3-enoxyoxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-3-enoxyoxane is sourced from PubChem (CID 3021738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).