(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid

C12H18O2 — CID 88900992

IUPAC(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
SMILESC/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,13,14)/b3-2-,6-5-,9-8-
InChIKeyPRONKUIBECICQT-SHEICRLESA-N
MW194.27 g/mol
LogP3.32
Rot. Bonds7

About (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid

(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid (PubChem CID 88900992) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
PubChem CID88900992
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
SMILESC/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,13,14)/b3-2-,6-5-,9-8-
InChIKeyPRONKUIBECICQT-SHEICRLESA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959
tetracosa-4,8,12,15,19,22-hexaenoic acid
CID 164519601
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
octacosa-20,23,26-trienoic acid
CID 169277364

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid?
The IUPAC name of (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid (CID 88900992) is (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid.
What is the SMILES notation for (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid?
The canonical SMILES for (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid is C/C=C\C/C=C\C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid?
The InChIKey is PRONKUIBECICQT-SHEICRLESA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,13,14)/b3-2-,6-5-,9-8-.
What are the key properties of (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid?
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid has a molecular weight of 194.27 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid is sourced from PubChem (CID 88900992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).