2,2,6,10-tetramethylundeca-5,9-dien-3-one

C15H26O — CID 71393329

IUPAC2,2,6,10-tetramethylundeca-5,9-dien-3-one
SMILESCC(C)=CCCC(C)=CCC(=O)C(C)(C)C
InChIInChI=1S/C15H26O/c1-12(2)8-7-9-13(3)10-11-14(16)15(4,5)6/h8,10H,7,9,11H2,1-6H3
InChIKeyGPDXFQFUDGDKRU-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.68
Rot. Bonds5

About 2,2,6,10-tetramethylundeca-5,9-dien-3-one

2,2,6,10-tetramethylundeca-5,9-dien-3-one (PubChem CID 71393329) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,2,6,10-tetramethylundeca-5,9-dien-3-one.

Molecular Properties

Compound Name2,2,6,10-tetramethylundeca-5,9-dien-3-one
PubChem CID71393329
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,2,6,10-tetramethylundeca-5,9-dien-3-one
SMILESCC(C)=CCCC(C)=CCC(=O)C(C)(C)C
InChIInChI=1S/C15H26O/c1-12(2)8-7-9-13(3)10-11-14(16)15(4,5)6/h8,10H,7,9,11H2,1-6H3
InChIKeyGPDXFQFUDGDKRU-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-2,3-dione;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-triene-2,3-dione
CID 159214024
(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
CID 139632164
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
4,8-dimethylnona-3,7-dienoic acid;(2E)-3,7-dimethylocta-2,6-dienoic acid
CID 160780461
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908

Frequently Asked Questions

What is the IUPAC name of 2,2,6,10-tetramethylundeca-5,9-dien-3-one?
The IUPAC name of 2,2,6,10-tetramethylundeca-5,9-dien-3-one (CID 71393329) is 2,2,6,10-tetramethylundeca-5,9-dien-3-one.
What is the SMILES notation for 2,2,6,10-tetramethylundeca-5,9-dien-3-one?
The canonical SMILES for 2,2,6,10-tetramethylundeca-5,9-dien-3-one is CC(C)=CCCC(C)=CCC(=O)C(C)(C)C.
What is the InChIKey of 2,2,6,10-tetramethylundeca-5,9-dien-3-one?
The InChIKey is GPDXFQFUDGDKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)8-7-9-13(3)10-11-14(16)15(4,5)6/h8,10H,7,9,11H2,1-6H3.
What are the key properties of 2,2,6,10-tetramethylundeca-5,9-dien-3-one?
2,2,6,10-tetramethylundeca-5,9-dien-3-one has a molecular weight of 222.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,10-tetramethylundeca-5,9-dien-3-one is sourced from PubChem (CID 71393329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).