ethyl 10-(oxan-2-yloxy)dec-7-enoate

C17H30O4 — CID 71375954

IUPACethyl 10-(oxan-2-yloxy)dec-7-enoate
SMILESCCOC(=O)CCCCCC=CCCOC1CCCCO1
InChIInChI=1S/C17H30O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h5,7,17H,2-4,6,8-15H2,1H3
InChIKeyLEIDFSXJZMSUSW-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.99
Rot. Bonds11

About ethyl 10-(oxan-2-yloxy)dec-7-enoate

ethyl 10-(oxan-2-yloxy)dec-7-enoate (PubChem CID 71375954) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is ethyl 10-(oxan-2-yloxy)dec-7-enoate.

Molecular Properties

Compound Nameethyl 10-(oxan-2-yloxy)dec-7-enoate
PubChem CID71375954
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Nameethyl 10-(oxan-2-yloxy)dec-7-enoate
SMILESCCOC(=O)CCCCCC=CCCOC1CCCCO1
InChIInChI=1S/C17H30O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h5,7,17H,2-4,6,8-15H2,1H3
InChIKeyLEIDFSXJZMSUSW-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[(E)-dec-3-enoxy]oxane
CID 15649194
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
[(2R)-3-hydroxy-2-[2-(oxan-2-yloxy)ethoxy]propyl] octadec-9-enoate
CID 90919301
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
CID 70506066
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
methyl (E)-8-(oxan-2-yloxy)oct-2-enoate
CID 14937208
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(oxan-2-yloxy)dec-7-enoate?
The IUPAC name of ethyl 10-(oxan-2-yloxy)dec-7-enoate (CID 71375954) is ethyl 10-(oxan-2-yloxy)dec-7-enoate.
What is the SMILES notation for ethyl 10-(oxan-2-yloxy)dec-7-enoate?
The canonical SMILES for ethyl 10-(oxan-2-yloxy)dec-7-enoate is CCOC(=O)CCCCCC=CCCOC1CCCCO1.
What is the InChIKey of ethyl 10-(oxan-2-yloxy)dec-7-enoate?
The InChIKey is LEIDFSXJZMSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h5,7,17H,2-4,6,8-15H2,1H3.
What are the key properties of ethyl 10-(oxan-2-yloxy)dec-7-enoate?
ethyl 10-(oxan-2-yloxy)dec-7-enoate has a molecular weight of 298.42 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(oxan-2-yloxy)dec-7-enoate is sourced from PubChem (CID 71375954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).