10-methyldodecyl acetate

C15H30O2 — CID 15571325

IUPAC10-methyldodecyl acetate
SMILESCCC(C)CCCCCCCCCOC(C)=O
InChIInChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-17-15(3)16/h14H,4-13H2,1-3H3
InChIKeyWUVOJIMYHUYERX-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.72
Rot. Bonds11

About 10-methyldodecyl acetate

10-methyldodecyl acetate (PubChem CID 15571325) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 10-methyldodecyl acetate.

Molecular Properties

Compound Name10-methyldodecyl acetate
PubChem CID15571325
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name10-methyldodecyl acetate
SMILESCCC(C)CCCCCCCCCOC(C)=O
InChIInChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-17-15(3)16/h14H,4-13H2,1-3H3
InChIKeyWUVOJIMYHUYERX-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-methyldodecyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylhexyl Acetate
CID 7635
Cyclohexaneethyl acetate
CID 30771
Octyl 2-methylbutyrate
CID 520455
1-Octanol, 3,7-dimethyl-, 1-acetate
CID 30249
Octyl isobutyrate
CID 61024
Heptyl isovalerate
CID 91850
Heptyl 2-methylbutanoate
CID 546235
Tetrahydrolinalyl acetate
CID 89385
Octyl isovalerate
CID 228769
Nonyl isovalerate
CID 5463914
6-Methyl-2-heptyl acetate
CID 50006
4-Acetoxy-3-pentyltetrahydropyran
CID 86799

Frequently Asked Questions

What is the IUPAC name of 10-methyldodecyl acetate?
The IUPAC name of 10-methyldodecyl acetate (CID 15571325) is 10-methyldodecyl acetate.
What is the SMILES notation for 10-methyldodecyl acetate?
The canonical SMILES for 10-methyldodecyl acetate is CCC(C)CCCCCCCCCOC(C)=O.
What is the InChIKey of 10-methyldodecyl acetate?
The InChIKey is WUVOJIMYHUYERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-17-15(3)16/h14H,4-13H2,1-3H3.
What are the key properties of 10-methyldodecyl acetate?
10-methyldodecyl acetate has a molecular weight of 242.40 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyldodecyl acetate is sourced from PubChem (CID 15571325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).