ethyl (6Z)-nona-6,8-dienoate

C11H18O2 — CID 11001790

IUPACethyl (6Z)-nona-6,8-dienoate
SMILESC=C/C=C\CCCCC(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3,5-6H,1,4,7-10H2,2H3/b6-5-
InChIKeyDVXVNHFTLXKJFA-WAYWQWQTSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds7

About ethyl (6Z)-nona-6,8-dienoate

ethyl (6Z)-nona-6,8-dienoate (PubChem CID 11001790) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl (6Z)-nona-6,8-dienoate.

Molecular Properties

Compound Nameethyl (6Z)-nona-6,8-dienoate
PubChem CID11001790
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl (6Z)-nona-6,8-dienoate
SMILESC=C/C=C\CCCCC(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3,5-6H,1,4,7-10H2,2H3/b6-5-
InChIKeyDVXVNHFTLXKJFA-WAYWQWQTSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron
CID 11001789
ethyl octadeca-9,11-dienoate
CID 71333061
ethyl hept-6-enoate
CID 560341
ethyl 8,8,8-trifluorooct-6-enoate
CID 162537305
ethyl (8E,10E)-dodeca-6,8,10-trienoate
CID 135026135
ethyl (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate
CID 171042765
ethyl hexa-3,5-dienoate
CID 54153384
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl (5Z,7E)-dodeca-5,7-dienoate
CID 14633807
ethyl octadec-8-enoate
CID 71350628

Frequently Asked Questions

What is the IUPAC name of ethyl (6Z)-nona-6,8-dienoate?
The IUPAC name of ethyl (6Z)-nona-6,8-dienoate (CID 11001790) is ethyl (6Z)-nona-6,8-dienoate.
What is the SMILES notation for ethyl (6Z)-nona-6,8-dienoate?
The canonical SMILES for ethyl (6Z)-nona-6,8-dienoate is C=C/C=C\CCCCC(=O)OCC.
What is the InChIKey of ethyl (6Z)-nona-6,8-dienoate?
The InChIKey is DVXVNHFTLXKJFA-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3,5-6H,1,4,7-10H2,2H3/b6-5-.
What are the key properties of ethyl (6Z)-nona-6,8-dienoate?
ethyl (6Z)-nona-6,8-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z)-nona-6,8-dienoate is sourced from PubChem (CID 11001790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).