(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid

C15H26O2 — CID 6437016

IUPAC(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid
SMILESCC(/C=C/CC(C)CCCC(C)C)=C\C(=O)O
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3,(H,16,17)/b10-6+,14-11+
InChIKeyQMVSVDPAWIVPNR-YMOPAIQUSA-N
MW238.37 g/mol
LogP4.43
Rot. Bonds8

About (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid

(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid (PubChem CID 6437016) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid
PubChem CID6437016
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid
SMILESCC(/C=C/CC(C)CCCC(C)C)=C\C(=O)O
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3,(H,16,17)/b10-6+,14-11+
InChIKeyQMVSVDPAWIVPNR-YMOPAIQUSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid?
The IUPAC name of (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid (CID 6437016) is (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid is CC(/C=C/CC(C)CCCC(C)C)=C\C(=O)O.
What is the InChIKey of (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid?
The InChIKey is QMVSVDPAWIVPNR-YMOPAIQUSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3,(H,16,17)/b10-6+,14-11+.
What are the key properties of (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid?
(2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid is sourced from PubChem (CID 6437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).