ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate

C12H20O4 — CID 15839787

IUPACethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
SMILESCCOC(=O)/C=C/CCOC1CCCCO1
InChIInChI=1S/C12H20O4/c1-2-14-11(13)7-3-5-9-15-12-8-4-6-10-16-12/h3,7,12H,2,4-6,8-10H2,1H3/b7-3+
InChIKeyUSMSQVUVGBXEIA-XVNBXDOJSA-N
MW228.29 g/mol
LogP2.04
Rot. Bonds6

About ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate

ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate (PubChem CID 15839787) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
PubChem CID15839787
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
SMILESCCOC(=O)/C=C/CCOC1CCCCO1
InChIInChI=1S/C12H20O4/c1-2-14-11(13)7-3-5-9-15-12-8-4-6-10-16-12/h3,7,12H,2,4-6,8-10H2,1H3/b7-3+
InChIKeyUSMSQVUVGBXEIA-XVNBXDOJSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
ethyl 10-(oxan-2-yloxy)dec-7-enoate
CID 71375954
methyl (E)-8-(oxan-2-yloxy)oct-2-enoate
CID 14937208
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
CID 139578710
methyl (E,6S)-6-methyl-8-(oxan-2-yloxy)oct-2-enoate
CID 11977271
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-[(E)-dec-3-enoxy]oxane
CID 15649194
8-(oxan-2-yloxy)oct-5-en-4-ol
CID 71414268
2-[(E)-5-iodopent-4-enoxy]oxane
CID 11140994
(2S)-2-pent-4-enoxyoxane
CID 58779863

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate?
The IUPAC name of ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate (CID 15839787) is ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate?
The canonical SMILES for ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate is CCOC(=O)/C=C/CCOC1CCCCO1.
What is the InChIKey of ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate?
The InChIKey is USMSQVUVGBXEIA-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-14-11(13)7-3-5-9-15-12-8-4-6-10-16-12/h3,7,12H,2,4-6,8-10H2,1H3/b7-3+.
What are the key properties of ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate?
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate is sourced from PubChem (CID 15839787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).