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

C18H32O4 — CID 134905044

IUPACethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
SMILESCCOC(=O)CCCCC/C=C/CC(C)OC1CCCCO1
InChIInChI=1S/C18H32O4/c1-3-20-17(19)13-9-7-5-4-6-8-12-16(2)22-18-14-10-11-15-21-18/h6,8,16,18H,3-5,7,9-15H2,1-2H3/b8-6+
InChIKeyKFTFUVZJECCZNE-SOFGYWHQSA-N
MW312.45 g/mol
LogP4.38
Rot. Bonds11

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

ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate (PubChem CID 134905044) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate.

Molecular Properties

Compound Nameethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
PubChem CID134905044
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Nameethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
SMILESCCOC(=O)CCCCC/C=C/CC(C)OC1CCCCO1
InChIInChI=1S/C18H32O4/c1-3-20-17(19)13-9-7-5-4-6-8-12-16(2)22-18-14-10-11-15-21-18/h6,8,16,18H,3-5,7,9-15H2,1-2H3/b8-6+
InChIKeyKFTFUVZJECCZNE-SOFGYWHQSA-N
XLogP4.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.38
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

[(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate
CID 127025271
[2-Hexadecanoyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropyl] octadec-9-enoate
CID 162871951
[2-Hexadec-9-enoyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropyl] hexadecanoate
CID 162985910
[2-Hexadecanoyloxy-3-[3,4,5-triacetyloxy-6-(formyloxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12-dienoate
CID 163030555
Methoxyethanol ricinoleate
CID 87479246
Butane dioleate
CID 129725036
Butanediol diricinoleate
CID 129728043
(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
CID 13439915
Propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
CID 14214412
ethyl (Z,3R)-3-(oxan-2-yloxy)tetradec-6-enoate
CID 21763931
ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
CID 102355071
4-[(Ethoxycarbonyl)oxy]butyl-12-[(ethoxycarbonyl)oxy]octadec-9-enoate
CID 129834113

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate?
The IUPAC name of ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate (CID 134905044) is ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate.
What is the SMILES notation for ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate?
The canonical SMILES for ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate is CCOC(=O)CCCCC/C=C/CC(C)OC1CCCCO1.
What is the InChIKey of ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate?
The InChIKey is KFTFUVZJECCZNE-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-20-17(19)13-9-7-5-4-6-8-12-16(2)22-18-14-10-11-15-21-18/h6,8,16,18H,3-5,7,9-15H2,1-2H3/b8-6+.
What are the key properties of ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate?
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate has a molecular weight of 312.45 g/mol, XLogP of 4.38, 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)undec-7-enoate is sourced from PubChem (CID 134905044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).