methyl 6-acetyldodecanoate

C15H28O3 — CID 101282225

IUPACmethyl 6-acetyldodecanoate
SMILESCCCCCCC(CCCCC(=O)OC)C(C)=O
InChIInChI=1S/C15H28O3/c1-4-5-6-7-10-14(13(2)16)11-8-9-12-15(17)18-3/h14H,4-12H2,1-3H3
InChIKeyZIVBEZUCRMPVAX-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.90
Rot. Bonds11

About methyl 6-acetyldodecanoate

methyl 6-acetyldodecanoate (PubChem CID 101282225) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 6-acetyldodecanoate.

Molecular Properties

Compound Namemethyl 6-acetyldodecanoate
PubChem CID101282225
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namemethyl 6-acetyldodecanoate
SMILESCCCCCCC(CCCCC(=O)OC)C(C)=O
InChIInChI=1S/C15H28O3/c1-4-5-6-7-10-14(13(2)16)11-8-9-12-15(17)18-3/h14H,4-12H2,1-3H3
InChIKeyZIVBEZUCRMPVAX-UHFFFAOYSA-N
XLogP3.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-acetyldodecanoate
CID 101282226
methyl 5-acetyldecanoate
CID 101282210
methyl 6-acetylnonanoate
CID 101282206
dimethyl (2S)-2-tetradecylnonanedioate
CID 98231179
dimethyl 2-tetradecylnonanedioate
CID 4222825
methyl heptadecanoate
CID 15609
3-pentylnonan-2-one
CID 21290467
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyldodecanoate?
The IUPAC name of methyl 6-acetyldodecanoate (CID 101282225) is methyl 6-acetyldodecanoate.
What is the SMILES notation for methyl 6-acetyldodecanoate?
The canonical SMILES for methyl 6-acetyldodecanoate is CCCCCCC(CCCCC(=O)OC)C(C)=O.
What is the InChIKey of methyl 6-acetyldodecanoate?
The InChIKey is ZIVBEZUCRMPVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-5-6-7-10-14(13(2)16)11-8-9-12-15(17)18-3/h14H,4-12H2,1-3H3.
What are the key properties of methyl 6-acetyldodecanoate?
methyl 6-acetyldodecanoate has a molecular weight of 256.39 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyldodecanoate is sourced from PubChem (CID 101282225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).