6,10-dimethylundec-9-ene-2,3-dione

C13H22O2 — CID 91218155

IUPAC6,10-dimethylundec-9-ene-2,3-dione
SMILESCC(=O)C(=O)CCC(C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-9-13(15)12(4)14/h6,11H,5,7-9H2,1-4H3
InChIKeyRQTPJMMKLMGNQK-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.31
Rot. Bonds7

About 6,10-dimethylundec-9-ene-2,3-dione

6,10-dimethylundec-9-ene-2,3-dione (PubChem CID 91218155) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6,10-dimethylundec-9-ene-2,3-dione.

Molecular Properties

Compound Name6,10-dimethylundec-9-ene-2,3-dione
PubChem CID91218155
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name6,10-dimethylundec-9-ene-2,3-dione
SMILESCC(=O)C(=O)CCC(C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-9-13(15)12(4)14/h6,11H,5,7-9H2,1-4H3
InChIKeyRQTPJMMKLMGNQK-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
CID 87880909
8,12-dimethyltridec-11-en-4-one
CID 71359316
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
5,9-dimethyl-2-propan-2-yldec-8-enoic acid
CID 87889859
2,6,10-trimethylundec-2-ene
CID 14805750
[(3R)-3,7-dimethyloct-6-enyl] butanoate
CID 23616651

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylundec-9-ene-2,3-dione?
The IUPAC name of 6,10-dimethylundec-9-ene-2,3-dione (CID 91218155) is 6,10-dimethylundec-9-ene-2,3-dione.
What is the SMILES notation for 6,10-dimethylundec-9-ene-2,3-dione?
The canonical SMILES for 6,10-dimethylundec-9-ene-2,3-dione is CC(=O)C(=O)CCC(C)CCC=C(C)C.
What is the InChIKey of 6,10-dimethylundec-9-ene-2,3-dione?
The InChIKey is RQTPJMMKLMGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-9-13(15)12(4)14/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 6,10-dimethylundec-9-ene-2,3-dione?
6,10-dimethylundec-9-ene-2,3-dione has a molecular weight of 210.32 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundec-9-ene-2,3-dione is sourced from PubChem (CID 91218155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).