(7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one

C15H24O — CID 11775662

IUPAC(7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one
SMILESC=C/C(C)=C/C=C/C(C)CC(=O)CC(C)C
InChIInChI=1S/C15H24O/c1-6-13(4)8-7-9-14(5)11-15(16)10-12(2)3/h6-9,12,14H,1,10-11H2,2-5H3/b9-7+,13-8+
InChIKeyAWGDIGKABLURJO-AVPQAVFTSA-N
MW220.36 g/mol
LogP4.32
Rot. Bonds7

About (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one

(7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one (PubChem CID 11775662) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one.

Molecular Properties

Compound Name(7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one
PubChem CID11775662
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one
SMILESC=C/C(C)=C/C=C/C(C)CC(=O)CC(C)C
InChIInChI=1S/C15H24O/c1-6-13(4)8-7-9-14(5)11-15(16)10-12(2)3/h6-9,12,14H,1,10-11H2,2-5H3/b9-7+,13-8+
InChIKeyAWGDIGKABLURJO-AVPQAVFTSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one?
The IUPAC name of (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one (CID 11775662) is (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one.
What is the SMILES notation for (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one?
The canonical SMILES for (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one is C=C/C(C)=C/C=C/C(C)CC(=O)CC(C)C.
What is the InChIKey of (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one?
The InChIKey is AWGDIGKABLURJO-AVPQAVFTSA-N. The full InChI is InChI=1S/C15H24O/c1-6-13(4)8-7-9-14(5)11-15(16)10-12(2)3/h6-9,12,14H,1,10-11H2,2-5H3/b9-7+,13-8+.
What are the key properties of (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one?
(7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one has a molecular weight of 220.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-2,6,10-trimethyldodeca-7,9,11-trien-4-one is sourced from PubChem (CID 11775662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).