7-hydroxy-3-methyldodecan-2-one

C13H26O2 — CID 91423870

IUPAC7-hydroxy-3-methyldodecan-2-one
SMILESCCCCCC(O)CCCC(C)C(C)=O
InChIInChI=1S/C13H26O2/c1-4-5-6-9-13(15)10-7-8-11(2)12(3)14/h11,13,15H,4-10H2,1-3H3
InChIKeyURWYKRYFNGGDGO-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.32
Rot. Bonds9

About 7-hydroxy-3-methyldodecan-2-one

7-hydroxy-3-methyldodecan-2-one (PubChem CID 91423870) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-hydroxy-3-methyldodecan-2-one.

Molecular Properties

Compound Name7-hydroxy-3-methyldodecan-2-one
PubChem CID91423870
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name7-hydroxy-3-methyldodecan-2-one
SMILESCCCCCC(O)CCCC(C)C(C)=O
InChIInChI=1S/C13H26O2/c1-4-5-6-9-13(15)10-7-8-11(2)12(3)14/h11,13,15H,4-10H2,1-3H3
InChIKeyURWYKRYFNGGDGO-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyloctan-2-one
CID 158725350
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
nonacosane-7,20-diol
CID 174949468
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyldodecan-2-one?
The IUPAC name of 7-hydroxy-3-methyldodecan-2-one (CID 91423870) is 7-hydroxy-3-methyldodecan-2-one.
What is the SMILES notation for 7-hydroxy-3-methyldodecan-2-one?
The canonical SMILES for 7-hydroxy-3-methyldodecan-2-one is CCCCCC(O)CCCC(C)C(C)=O.
What is the InChIKey of 7-hydroxy-3-methyldodecan-2-one?
The InChIKey is URWYKRYFNGGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-5-6-9-13(15)10-7-8-11(2)12(3)14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 7-hydroxy-3-methyldodecan-2-one?
7-hydroxy-3-methyldodecan-2-one has a molecular weight of 214.35 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyldodecan-2-one is sourced from PubChem (CID 91423870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).