(2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal

C14H22O — CID 10465594

IUPAC(2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal
SMILESCC(C)=CCCC(C)/C=C/C=C(\C)C=O
InChIInChI=1S/C14H22O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h6-7,9-11,13H,5,8H2,1-4H3/b9-6+,14-10+
InChIKeyDXFCFHRPCRADJT-UYQSWCAZSA-N
MW206.33 g/mol
LogP4.07
Rot. Bonds6

About (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal

(2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal (PubChem CID 10465594) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal.

Molecular Properties

Compound Name(2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal
PubChem CID10465594
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal
SMILESCC(C)=CCCC(C)/C=C/C=C(\C)C=O
InChIInChI=1S/C14H22O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h6-7,9-11,13H,5,8H2,1-4H3/b9-6+,14-10+
InChIKeyDXFCFHRPCRADJT-UYQSWCAZSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal?
The IUPAC name of (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal (CID 10465594) is (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal.
What is the SMILES notation for (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal?
The canonical SMILES for (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal is CC(C)=CCCC(C)/C=C/C=C(\C)C=O.
What is the InChIKey of (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal?
The InChIKey is DXFCFHRPCRADJT-UYQSWCAZSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h6-7,9-11,13H,5,8H2,1-4H3/b9-6+,14-10+.
What are the key properties of (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal?
(2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal has a molecular weight of 206.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,6,10-trimethylundeca-2,4,9-trienal is sourced from PubChem (CID 10465594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).