(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid

C12H18O4 — CID 176918699

IUPAC(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
SMILESC=C/C=C(\C=C)CCCCC(=O)O.O=CO
InChIInChI=1S/C11H16O2.CH2O2/c1-3-7-10(4-2)8-5-6-9-11(12)13;2-1-3/h3-4,7H,1-2,5-6,8-9H2,(H,12,13);1H,(H,2,3)/b10-7+;
InChIKeyYJVSORMXVAYDEG-HCUGZAAXSA-N
MW226.27 g/mol
LogP2.63
Rot. Bonds7

About (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid

(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid (PubChem CID 176918699) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid.

Molecular Properties

Compound Name(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
PubChem CID176918699
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
SMILESC=C/C=C(\C=C)CCCCC(=O)O.O=CO
InChIInChI=1S/C11H16O2.CH2O2/c1-3-7-10(4-2)8-5-6-9-11(12)13;2-1-3/h3-4,7H,1-2,5-6,8-9H2,(H,12,13);1H,(H,2,3)/b10-7+;
InChIKeyYJVSORMXVAYDEG-HCUGZAAXSA-N
XLogP2.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aminomethanone;(4Z)-4-ethenylhepta-4,6-dienoic acid;fermium
CID 165115773
buta-1,3-diene;decanedioic acid
CID 87614862
decanedioic acid;prop-2-enoic acid
CID 87433899
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
3-(2-ethenylpenta-2,4-dienylsulfanyl)propanoic acid
CID 123311297
11-oxotridec-12-enoic acid
CID 3032036
[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
CID 154661209
ethene;hexanedioic acid
CID 173462672
formic acid;icosanoic acid
CID 161473849
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
2-amino-4-[(5Z)-5-ethenylocta-5,7-dienyl]sulfanylbutanoic acid
CID 170770358

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid?
The IUPAC name of (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid (CID 176918699) is (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid.
What is the SMILES notation for (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid?
The canonical SMILES for (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid is C=C/C=C(\C=C)CCCCC(=O)O.O=CO.
What is the InChIKey of (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid?
The InChIKey is YJVSORMXVAYDEG-HCUGZAAXSA-N. The full InChI is InChI=1S/C11H16O2.CH2O2/c1-3-7-10(4-2)8-5-6-9-11(12)13;2-1-3/h3-4,7H,1-2,5-6,8-9H2,(H,12,13);1H,(H,2,3)/b10-7+;.
What are the key properties of (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid?
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid has a molecular weight of 226.27 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethenylnona-6,8-dienoic acid;formic acid is sourced from PubChem (CID 176918699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).