(1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene

C15H24O — CID 89410727

IUPAC(1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene
SMILESCO/C=C(C)/C=C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16-5/h7-8,10-12H,6,9H2,1-5H3/b11-7+,14-10-,15-12+
InChIKeyDGTFBRUMZWQWMJ-PQHLEAJOSA-N
MW220.36 g/mol
LogP4.79
Rot. Bonds6

About (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene

(1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene (PubChem CID 89410727) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene
PubChem CID89410727
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene
SMILESCO/C=C(C)/C=C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16-5/h7-8,10-12H,6,9H2,1-5H3/b11-7+,14-10-,15-12+
InChIKeyDGTFBRUMZWQWMJ-PQHLEAJOSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene?
The IUPAC name of (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene (CID 89410727) is (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene.
What is the SMILES notation for (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene?
The canonical SMILES for (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene is CO/C=C(C)/C=C/C=C(/C)CCC=C(C)C.
What is the InChIKey of (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene?
The InChIKey is DGTFBRUMZWQWMJ-PQHLEAJOSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16-5/h7-8,10-12H,6,9H2,1-5H3/b11-7+,14-10-,15-12+.
What are the key properties of (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene?
(1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene has a molecular weight of 220.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene is sourced from PubChem (CID 89410727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).