8,10-dimethylundecan-2-one

C13H26O — CID 90238828

IUPAC8,10-dimethylundecan-2-one
SMILESCC(=O)CCCCCC(C)CC(C)C
InChIInChI=1S/C13H26O/c1-11(2)10-12(3)8-6-5-7-9-13(4)14/h11-12H,5-10H2,1-4H3
InChIKeyYMYIBSUJZWUHPF-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.21
Rot. Bonds8

About 8,10-dimethylundecan-2-one

8,10-dimethylundecan-2-one (PubChem CID 90238828) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 8,10-dimethylundecan-2-one.

Molecular Properties

Compound Name8,10-dimethylundecan-2-one
PubChem CID90238828
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name8,10-dimethylundecan-2-one
SMILESCC(=O)CCCCCC(C)CC(C)C
InChIInChI=1S/C13H26O/c1-11(2)10-12(3)8-6-5-7-9-13(4)14/h11-12H,5-10H2,1-4H3
InChIKeyYMYIBSUJZWUHPF-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11,13-dimethylpentadecan-2-one
CID 88850025
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
17-methylpentacosan-2-one
CID 57068605
8-methylundecan-2-one
CID 19847213
14-methylpentadecane-2,8-dione
CID 159096890
7-methyldecan-2-one
CID 54155197
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
18,18-dihydroxyoctadecan-2-one
CID 123837048
2,3-dihydroxypropyl 6,8-dimethylnonanoate
CID 123238077
(4S)-2,4-dimethylicosane
CID 134952934

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethylundecan-2-one?
The IUPAC name of 8,10-dimethylundecan-2-one (CID 90238828) is 8,10-dimethylundecan-2-one.
What is the SMILES notation for 8,10-dimethylundecan-2-one?
The canonical SMILES for 8,10-dimethylundecan-2-one is CC(=O)CCCCCC(C)CC(C)C.
What is the InChIKey of 8,10-dimethylundecan-2-one?
The InChIKey is YMYIBSUJZWUHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-11(2)10-12(3)8-6-5-7-9-13(4)14/h11-12H,5-10H2,1-4H3.
What are the key properties of 8,10-dimethylundecan-2-one?
8,10-dimethylundecan-2-one has a molecular weight of 198.35 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethylundecan-2-one is sourced from PubChem (CID 90238828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).