[(10R)-10-methyldodecyl] acetate

C15H30O2 — CID 11806827

IUPAC[(10R)-10-methyldodecyl] acetate
SMILESCC[C@@H](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/t14-/m1/s1
InChIKeyWUVOJIMYHUYERX-CQSZACIVSA-N
MW242.40 g/mol
LogP4.72
Rot. Bonds11

About [(10R)-10-methyldodecyl] acetate

[(10R)-10-methyldodecyl] acetate (PubChem CID 11806827) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is [(10R)-10-methyldodecyl] acetate.

Molecular Properties

Compound Name[(10R)-10-methyldodecyl] acetate
PubChem CID11806827
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name[(10R)-10-methyldodecyl] acetate
SMILESCC[C@@H](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/t14-/m1/s1
InChIKeyWUVOJIMYHUYERX-CQSZACIVSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(10R)-10-methyldodecyl] acetate?
The IUPAC name of [(10R)-10-methyldodecyl] acetate (CID 11806827) is [(10R)-10-methyldodecyl] acetate.
What is the SMILES notation for [(10R)-10-methyldodecyl] acetate?
The canonical SMILES for [(10R)-10-methyldodecyl] acetate is CC[C@@H](C)CCCCCCCCCOC(C)=O.
What is the InChIKey of [(10R)-10-methyldodecyl] acetate?
The InChIKey is WUVOJIMYHUYERX-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of [(10R)-10-methyldodecyl] acetate?
[(10R)-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 [(10R)-10-methyldodecyl] acetate is sourced from PubChem (CID 11806827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).