(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid

C14H16O2 — CID 10822604

IUPAC(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid
SMILESCC/C=C/C#C/C=C/C#CCCCC(=O)O
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,7-8H,2,11-13H2,1H3,(H,15,16)/b4-3+,8-7+
InChIKeyIHXAUHSVYVDJQO-DYWGDJMRSA-N
MW216.28 g/mol
LogP2.77
Rot. Bonds4

About (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid

(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid (PubChem CID 10822604) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid.

Molecular Properties

Compound Name(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid
PubChem CID10822604
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid
SMILESCC/C=C/C#C/C=C/C#CCCCC(=O)O
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,7-8H,2,11-13H2,1H3,(H,15,16)/b4-3+,8-7+
InChIKeyIHXAUHSVYVDJQO-DYWGDJMRSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid?
The IUPAC name of (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid (CID 10822604) is (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid.
What is the SMILES notation for (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid?
The canonical SMILES for (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid is CC/C=C/C#C/C=C/C#CCCCC(=O)O.
What is the InChIKey of (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid?
The InChIKey is IHXAUHSVYVDJQO-DYWGDJMRSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,7-8H,2,11-13H2,1H3,(H,15,16)/b4-3+,8-7+.
What are the key properties of (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid?
(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid is sourced from PubChem (CID 10822604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).