2,6,10-trimethylundeca-2,6,9-trien-4-one

C14H22O — CID 57093023

IUPAC2,6,10-trimethylundeca-2,6,9-trien-4-one
SMILESCC(C)=CCC=C(C)CC(=O)C=C(C)C
InChIInChI=1S/C14H22O/c1-11(2)7-6-8-13(5)10-14(15)9-12(3)4/h7-9H,6,10H2,1-5H3
InChIKeyMUAQUBUDBLWZSY-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds5

About 2,6,10-trimethylundeca-2,6,9-trien-4-one

2,6,10-trimethylundeca-2,6,9-trien-4-one (PubChem CID 57093023) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,6,10-trimethylundeca-2,6,9-trien-4-one.

Molecular Properties

Compound Name2,6,10-trimethylundeca-2,6,9-trien-4-one
PubChem CID57093023
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,6,10-trimethylundeca-2,6,9-trien-4-one
SMILESCC(C)=CCC=C(C)CC(=O)C=C(C)C
InChIInChI=1S/C14H22O/c1-11(2)7-6-8-13(5)10-14(15)9-12(3)4/h7-9H,6,10H2,1-5H3
InChIKeyMUAQUBUDBLWZSY-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethylundeca-2,6,9-trien-4-one?
The IUPAC name of 2,6,10-trimethylundeca-2,6,9-trien-4-one (CID 57093023) is 2,6,10-trimethylundeca-2,6,9-trien-4-one.
What is the SMILES notation for 2,6,10-trimethylundeca-2,6,9-trien-4-one?
The canonical SMILES for 2,6,10-trimethylundeca-2,6,9-trien-4-one is CC(C)=CCC=C(C)CC(=O)C=C(C)C.
What is the InChIKey of 2,6,10-trimethylundeca-2,6,9-trien-4-one?
The InChIKey is MUAQUBUDBLWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)7-6-8-13(5)10-14(15)9-12(3)4/h7-9H,6,10H2,1-5H3.
What are the key properties of 2,6,10-trimethylundeca-2,6,9-trien-4-one?
2,6,10-trimethylundeca-2,6,9-trien-4-one has a molecular weight of 206.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethylundeca-2,6,9-trien-4-one is sourced from PubChem (CID 57093023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).