(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal

C13H18O — CID 11194828

IUPAC(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
SMILESCC(C)(C)/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C13H18O/c1-13(2,3)11-9-7-5-4-6-8-10-12-14/h4-12H,1-3H3/b6-4+,7-5+,10-8+,11-9+
InChIKeyQVBHZDZRZMNCMR-LOVBCJNSSA-N
MW190.29 g/mol
LogP3.46
Rot. Bonds4

About (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal

(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal (PubChem CID 11194828) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
PubChem CID11194828
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
SMILESCC(C)(C)/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C13H18O/c1-13(2,3)11-9-7-5-4-6-8-10-12-14/h4-12H,1-3H3/b6-4+,7-5+,10-8+,11-9+
InChIKeyQVBHZDZRZMNCMR-LOVBCJNSSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.46
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,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal?
The IUPAC name of (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal (CID 11194828) is (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal is CC(C)(C)/C=C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal?
The InChIKey is QVBHZDZRZMNCMR-LOVBCJNSSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)11-9-7-5-4-6-8-10-12-14/h4-12H,1-3H3/b6-4+,7-5+,10-8+,11-9+.
What are the key properties of (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal?
(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal has a molecular weight of 190.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal is sourced from PubChem (CID 11194828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).