(4E)-3-ethenylocta-4,7-dienoic acid

C10H14O2 — CID 88742421

IUPAC(4E)-3-ethenylocta-4,7-dienoic acid
SMILESC=CC/C=C/C(C=C)CC(=O)O
InChIInChI=1S/C10H14O2/c1-3-5-6-7-9(4-2)8-10(11)12/h3-4,6-7,9H,1-2,5,8H2,(H,11,12)/b7-6+
InChIKeyDEKUNKJMLAUICP-VOTSOKGWSA-N
MW166.22 g/mol
LogP2.40
Rot. Bonds6

About (4E)-3-ethenylocta-4,7-dienoic acid

(4E)-3-ethenylocta-4,7-dienoic acid (PubChem CID 88742421) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4E)-3-ethenylocta-4,7-dienoic acid.

Molecular Properties

Compound Name(4E)-3-ethenylocta-4,7-dienoic acid
PubChem CID88742421
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4E)-3-ethenylocta-4,7-dienoic acid
SMILESC=CC/C=C/C(C=C)CC(=O)O
InChIInChI=1S/C10H14O2/c1-3-5-6-7-9(4-2)8-10(11)12/h3-4,6-7,9H,1-2,5,8H2,(H,11,12)/b7-6+
InChIKeyDEKUNKJMLAUICP-VOTSOKGWSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.40
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

carbonic acid;3-methylocta-1,4,7-triene
CID 88742422
azane;2-hexa-2,5-dienylbutanedioic acid
CID 175554950
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
(4E)-2-methylideneocta-4,7-dienoic acid
CID 135037319
(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108
acetic acid;hexa-1,4-diene
CID 174398643
penta-1,4-dienyl hydrogen carbonate
CID 141205856
octa-2,4,7-trienoic acid
CID 173345547
3-carbonochloridoylpent-4-enoic acid
CID 174682781
3-aminohex-5-enoic acid
CID 22142027
(7E)-4-hydroxyundeca-7,10-dienoic acid
CID 13148487
(E,3R)-3-ethenylhept-5-enoic acid
CID 124566834

Frequently Asked Questions

What is the IUPAC name of (4E)-3-ethenylocta-4,7-dienoic acid?
The IUPAC name of (4E)-3-ethenylocta-4,7-dienoic acid (CID 88742421) is (4E)-3-ethenylocta-4,7-dienoic acid.
What is the SMILES notation for (4E)-3-ethenylocta-4,7-dienoic acid?
The canonical SMILES for (4E)-3-ethenylocta-4,7-dienoic acid is C=CC/C=C/C(C=C)CC(=O)O.
What is the InChIKey of (4E)-3-ethenylocta-4,7-dienoic acid?
The InChIKey is DEKUNKJMLAUICP-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-6-7-9(4-2)8-10(11)12/h3-4,6-7,9H,1-2,5,8H2,(H,11,12)/b7-6+.
What are the key properties of (4E)-3-ethenylocta-4,7-dienoic acid?
(4E)-3-ethenylocta-4,7-dienoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-ethenylocta-4,7-dienoic acid is sourced from PubChem (CID 88742421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).