(4Z,6Z)-4-ethenylnona-4,6-dienoic acid

C11H16O2 — CID 176673158

IUPAC(4Z,6Z)-4-ethenylnona-4,6-dienoic acid
SMILESC=C/C(=C\C=C/CC)CCC(=O)O
InChIInChI=1S/C11H16O2/c1-3-5-6-7-10(4-2)8-9-11(12)13/h4-7H,2-3,8-9H2,1H3,(H,12,13)/b6-5-,10-7+
InChIKeyNWCHAVRSUHSRPW-ZZWPSLBBSA-N
MW180.25 g/mol
LogP2.93
Rot. Bonds6

About (4Z,6Z)-4-ethenylnona-4,6-dienoic acid

(4Z,6Z)-4-ethenylnona-4,6-dienoic acid (PubChem CID 176673158) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenylnona-4,6-dienoic acid.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenylnona-4,6-dienoic acid
PubChem CID176673158
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4Z,6Z)-4-ethenylnona-4,6-dienoic acid
SMILESC=C/C(=C\C=C/CC)CCC(=O)O
InChIInChI=1S/C11H16O2/c1-3-5-6-7-10(4-2)8-9-11(12)13/h4-7H,2-3,8-9H2,1H3,(H,12,13)/b6-5-,10-7+
InChIKeyNWCHAVRSUHSRPW-ZZWPSLBBSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(Z)-4-ethenylhex-4-enoic acid
CID 177225786
aminomethanone;(4Z)-4-ethenylhepta-4,6-dienoic acid;fermium
CID 165115773
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene
CID 143338030
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
acetic acid;butanedioic acid;prop-2-enoic acid
CID 161289385
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
6-hepta-2,4-dien-2-yloxy-6-oxohexanoic acid
CID 141098859
dodeca-7,9-dienoic acid
CID 78383934
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
CID 176918699
4-oxooctadeca-9,11,13,15-tetraenoic acid
CID 78383982
benzene;(3E)-hexa-1,3-diene
CID 173449950

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-ethenylnona-4,6-dienoic acid?
The IUPAC name of (4Z,6Z)-4-ethenylnona-4,6-dienoic acid (CID 176673158) is (4Z,6Z)-4-ethenylnona-4,6-dienoic acid.
What is the SMILES notation for (4Z,6Z)-4-ethenylnona-4,6-dienoic acid?
The canonical SMILES for (4Z,6Z)-4-ethenylnona-4,6-dienoic acid is C=C/C(=C\C=C/CC)CCC(=O)O.
What is the InChIKey of (4Z,6Z)-4-ethenylnona-4,6-dienoic acid?
The InChIKey is NWCHAVRSUHSRPW-ZZWPSLBBSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-6-7-10(4-2)8-9-11(12)13/h4-7H,2-3,8-9H2,1H3,(H,12,13)/b6-5-,10-7+.
What are the key properties of (4Z,6Z)-4-ethenylnona-4,6-dienoic acid?
(4Z,6Z)-4-ethenylnona-4,6-dienoic acid has a molecular weight of 180.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenylnona-4,6-dienoic acid is sourced from PubChem (CID 176673158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).