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

C17H30O4 — CID 102355071

IUPACethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
SMILESCCOC(=O)CCCCC/C=C/CCOC1CCCCO1
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/b7-5+
InChIKeyLEIDFSXJZMSUSW-FNORWQNLSA-N
MW298.42 g/mol
LogP3.99
Rot. Bonds11

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

ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate (PubChem CID 102355071) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate.

Molecular Properties

Compound Nameethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
PubChem CID102355071
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Nameethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
SMILESCCOC(=O)CCCCC/C=C/CCOC1CCCCO1
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/b7-5+
InChIKeyLEIDFSXJZMSUSW-FNORWQNLSA-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

Butane dioleate
CID 129725036
Methyl 12,12-dimethoxy-trans-9-dodecenoate
CID 12496416
Methyl 12,12-dimethoxy-cis-9-dodecenoate
CID 12496417
Propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
CID 14214412
ethyl (Z,3R)-3-(oxan-2-yloxy)tetradec-6-enoate
CID 21763931
Methyl 12,12-dimethoxy-9-dodecenoate
CID 85974911
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate
CID 134979779
(6z,10z)-16-(Tetrahydro-2h-pyran-2-yloxy)hexadeca-6,10-dienoic acid
CID 171904897
(7z,11z)-18-(Tetrahydro-2h-pyran-2-yloxy)octadeca7,11-dienoic acid
CID 171904922
methyl (E)-10-fluoro-14-(oxan-2-yloxy)tetradec-10-en-12-ynoate
CID 101110845
methyl (Z)-10-fluoro-14-(oxan-2-yloxy)tetradec-10-en-12-ynoate
CID 102271112

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate?
The IUPAC name of ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate (CID 102355071) is ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate.
What is the SMILES notation for ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate?
The canonical SMILES for ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate is CCOC(=O)CCCCC/C=C/CCOC1CCCCO1.
What is the InChIKey of ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate?
The InChIKey is LEIDFSXJZMSUSW-FNORWQNLSA-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/b7-5+.
What are the key properties of ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate?
ethyl (E)-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 (E)-10-(oxan-2-yloxy)dec-7-enoate is sourced from PubChem (CID 102355071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).