ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate

C18H32O4 — CID 142071434

IUPACethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate
SMILESCCOC(=O)CCCC/C=C\C/C=C\CC(OCC)OCC
InChIInChI=1S/C18H32O4/c1-4-20-17(19)15-13-11-9-7-8-10-12-14-16-18(21-5-2)22-6-3/h7-8,12,14,18H,4-6,9-11,13,15-16H2,1-3H3/b8-7-,14-12-
InChIKeyCIDDGNMRZCQLIA-PYCQNIAVSA-N
MW312.45 g/mol
LogP4.40
Rot. Bonds14

About ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate

ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate (PubChem CID 142071434) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate.

Molecular Properties

Compound Nameethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate
PubChem CID142071434
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Nameethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate
SMILESCCOC(=O)CCCC/C=C\C/C=C\CC(OCC)OCC
InChIInChI=1S/C18H32O4/c1-4-20-17(19)15-13-11-9-7-8-10-12-14-16-18(21-5-2)22-6-3/h7-8,12,14,18H,4-6,9-11,13,15-16H2,1-3H3/b8-7-,14-12-
InChIKeyCIDDGNMRZCQLIA-PYCQNIAVSA-N
XLogP4.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (6Z,12Z,15Z)-octadeca-6,12,15-trienoate
CID 142071444
ethyl (6E,9Z,12E)-octadeca-6,9,12-trienoate
CID 124933434
ethyl (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate
CID 171042765
ethyl (6Z,12Z,15Z)-9-methyloctadeca-6,12,15-trienoate
CID 142071430
ethyl (5Z,8E,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 172866485
ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
CID 175771564
CID 175771564
1-ethoxypropyl icosa-5,8,11,14-tetraenoate
CID 173105653
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405
ethyl 13-hydroxyicosa-5,8,11,14-tetraenoate
CID 72739134

Frequently Asked Questions

What is the IUPAC name of ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate?
The IUPAC name of ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate (CID 142071434) is ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate.
What is the SMILES notation for ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate?
The canonical SMILES for ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate is CCOC(=O)CCCC/C=C\C/C=C\CC(OCC)OCC.
What is the InChIKey of ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate?
The InChIKey is CIDDGNMRZCQLIA-PYCQNIAVSA-N. The full InChI is InChI=1S/C18H32O4/c1-4-20-17(19)15-13-11-9-7-8-10-12-14-16-18(21-5-2)22-6-3/h7-8,12,14,18H,4-6,9-11,13,15-16H2,1-3H3/b8-7-,14-12-.
What are the key properties of ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate?
ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate has a molecular weight of 312.45 g/mol, XLogP of 4.40, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate is sourced from PubChem (CID 142071434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).