(2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal

C14H20O — CID 10512410

IUPAC(2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal
SMILESCC(C)=C/C=C\C(C)/C=C/C=C(\C)C=O
InChIInChI=1S/C14H20O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h5-11,13H,1-4H3/b8-5-,9-6+,14-10+
InChIKeyQACWQRGSTMMIFT-ZLBJFZRKSA-N
MW204.31 g/mol
LogP3.85
Rot. Bonds5

About (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal

(2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal (PubChem CID 10512410) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal.

Molecular Properties

Compound Name(2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal
PubChem CID10512410
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal
SMILESCC(C)=C/C=C\C(C)/C=C/C=C(\C)C=O
InChIInChI=1S/C14H20O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h5-11,13H,1-4H3/b8-5-,9-6+,14-10+
InChIKeyQACWQRGSTMMIFT-ZLBJFZRKSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal?
The IUPAC name of (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal (CID 10512410) is (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal.
What is the SMILES notation for (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal?
The canonical SMILES for (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal is CC(C)=C/C=C\C(C)/C=C/C=C(\C)C=O.
What is the InChIKey of (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal?
The InChIKey is QACWQRGSTMMIFT-ZLBJFZRKSA-N. The full InChI is InChI=1S/C14H20O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h5-11,13H,1-4H3/b8-5-,9-6+,14-10+.
What are the key properties of (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal?
(2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal has a molecular weight of 204.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7Z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal is sourced from PubChem (CID 10512410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).