(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid

C14H24O2 — CID 87710924

IUPAC(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid
SMILESC/C=C/CC/C=C/CCC(C)C(C)C(=O)O
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12(2)13(3)14(15)16/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,15,16)/b5-4+,9-8+
InChIKeyIOXQZUSNXILJHV-KQWYESAVSA-N
MW224.34 g/mol
LogP4.04
Rot. Bonds8

About (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid

(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid (PubChem CID 87710924) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid.

Molecular Properties

Compound Name(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid
PubChem CID87710924
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid
SMILESC/C=C/CC/C=C/CCC(C)C(C)C(=O)O
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12(2)13(3)14(15)16/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,15,16)/b5-4+,9-8+
InChIKeyIOXQZUSNXILJHV-KQWYESAVSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2R)-2-methylhept-5-enoic acid
CID 100977914
2-aminohept-5-enoic acid
CID 54178727
6,7-dimethyloct-2-ene
CID 54205493
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
(E)-2-methylnon-7-enoic acid
CID 146276957
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
trideca-3,7,11-trien-2-yl hydrogen carbonate
CID 87612578
2-octylhexadeca-6,10,14-trienoic acid
CID 141369236
acetic acid;octa-1,6-dien-3-ol
CID 161210848
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid?
The IUPAC name of (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid (CID 87710924) is (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid.
What is the SMILES notation for (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid?
The canonical SMILES for (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid is C/C=C/CC/C=C/CCC(C)C(C)C(=O)O.
What is the InChIKey of (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid?
The InChIKey is IOXQZUSNXILJHV-KQWYESAVSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12(2)13(3)14(15)16/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,15,16)/b5-4+,9-8+.
What are the key properties of (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid?
(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid has a molecular weight of 224.34 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid is sourced from PubChem (CID 87710924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).