2-[(E)-5-methoxypent-4-enoxy]oxane

C11H20O3 — CID 13215974

IUPAC2-[(E)-5-methoxypent-4-enoxy]oxane
SMILESCO/C=C/CCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c1-12-8-4-2-5-9-13-11-7-3-6-10-14-11/h4,8,11H,2-3,5-7,9-10H2,1H3/b8-4+
InChIKeyKHMXIFNQSDUTAH-XBXARRHUSA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds6

About 2-[(E)-5-methoxypent-4-enoxy]oxane

2-[(E)-5-methoxypent-4-enoxy]oxane (PubChem CID 13215974) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(E)-5-methoxypent-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-5-methoxypent-4-enoxy]oxane
PubChem CID13215974
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[(E)-5-methoxypent-4-enoxy]oxane
SMILESCO/C=C/CCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c1-12-8-4-2-5-9-13-11-7-3-6-10-14-11/h4,8,11H,2-3,5-7,9-10H2,1H3/b8-4+
InChIKeyKHMXIFNQSDUTAH-XBXARRHUSA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((Pent-1-en-3-yl)oxy)oxane
CID 14103515
2-But-3-enoxyoxane
CID 319945
2H-Pyran, 2-(3-hexen-1-yloxy)tetrahydro-
CID 3021738
2H-Pyran, 2-(5-hexenyloxy)tetrahydro-
CID 11183036
1-(2-Tetrahydropyranyloxy)-7-octene
CID 20041421
2-(Hepta-5,6-dien-1-yloxy)tetrahydro-2h-pyran
CID 316882
tributyl-[(E)-5-(oxan-2-yloxy)pent-1-enyl]stannane
CID 10095712
2-Dec-9-en-3-ynoxyoxane
CID 49766182
2-[(E)-6-iodohex-5-enoxy]oxane
CID 10924930
2-[(E)-prop-1-enoxy]oxane
CID 12835881
(4Z)-1-(tetrahydropyran-2-yloxy)-4-decene
CID 67591886
2-(2,2-Difluoropent-4-enoxy)oxane
CID 14997772

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-methoxypent-4-enoxy]oxane?
The IUPAC name of 2-[(E)-5-methoxypent-4-enoxy]oxane (CID 13215974) is 2-[(E)-5-methoxypent-4-enoxy]oxane.
What is the SMILES notation for 2-[(E)-5-methoxypent-4-enoxy]oxane?
The canonical SMILES for 2-[(E)-5-methoxypent-4-enoxy]oxane is CO/C=C/CCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-5-methoxypent-4-enoxy]oxane?
The InChIKey is KHMXIFNQSDUTAH-XBXARRHUSA-N. The full InChI is InChI=1S/C11H20O3/c1-12-8-4-2-5-9-13-11-7-3-6-10-14-11/h4,8,11H,2-3,5-7,9-10H2,1H3/b8-4+.
What are the key properties of 2-[(E)-5-methoxypent-4-enoxy]oxane?
2-[(E)-5-methoxypent-4-enoxy]oxane has a molecular weight of 200.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-methoxypent-4-enoxy]oxane is sourced from PubChem (CID 13215974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).