dodecan-5-one

C12H24O — CID 29771

IUPACdodecan-5-one
SMILESCCCCCCCC(=O)CCCC
InChIInChI=1S/C12H24O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-11H2,1-2H3
InChIKeyDOXYUCZSYSEALW-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.11
Rot. Bonds9

About dodecan-5-one

dodecan-5-one (PubChem CID 29771) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is dodecan-5-one.

Molecular Properties

Compound Namedodecan-5-one
PubChem CID29771
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namedodecan-5-one
SMILESCCCCCCCC(=O)CCCC
InChIInChI=1S/C12H24O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-11H2,1-2H3
InChIKeyDOXYUCZSYSEALW-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.11
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

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171
tetracosane-3,13-dione
CID 143607999
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of dodecan-5-one?
The IUPAC name of dodecan-5-one (CID 29771) is dodecan-5-one.
What is the SMILES notation for dodecan-5-one?
The canonical SMILES for dodecan-5-one is CCCCCCCC(=O)CCCC.
What is the InChIKey of dodecan-5-one?
The InChIKey is DOXYUCZSYSEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-11H2,1-2H3.
What are the key properties of dodecan-5-one?
dodecan-5-one has a molecular weight of 184.32 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-5-one is sourced from PubChem (CID 29771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).