(1-methyl-5-propan-2-ylcyclononyl) acetate

C15H28O2 — CID 90798249

IUPAC(1-methyl-5-propan-2-ylcyclononyl) acetate
SMILESCC(=O)OC1(C)CCCCC(C(C)C)CCC1
InChIInChI=1S/C15H28O2/c1-12(2)14-8-5-6-10-15(4,11-7-9-14)17-13(3)16/h12,14H,5-11H2,1-4H3
InChIKeyLYAXVALUNGMRNT-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.32
Rot. Bonds2

About (1-methyl-5-propan-2-ylcyclononyl) acetate

(1-methyl-5-propan-2-ylcyclononyl) acetate (PubChem CID 90798249) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1-methyl-5-propan-2-ylcyclononyl) acetate.

Molecular Properties

Compound Name(1-methyl-5-propan-2-ylcyclononyl) acetate
PubChem CID90798249
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1-methyl-5-propan-2-ylcyclononyl) acetate
SMILESCC(=O)OC1(C)CCCCC(C(C)C)CCC1
InChIInChI=1S/C15H28O2/c1-12(2)14-8-5-6-10-15(4,11-7-9-14)17-13(3)16/h12,14H,5-11H2,1-4H3
InChIKeyLYAXVALUNGMRNT-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclobutyl) acetate
CID 13396130
(1-methylcyclohexyl) acetate;propane
CID 143035856
bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386864
bis(1-methyl-4-propan-2-ylcyclohexyl) 2-methylpropanedioate
CID 154133778
(1-methyl-4-propan-2-ylcyclohexyl) ethaneperoxoate
CID 158287859
[(1R,4R)-1-methyl-3-oxo-4-propan-2-ylcyclohexyl] acetate
CID 162873975
(1-methyl-4-propan-2-ylcyclohexyl) (2S)-2-amino-3-methylbutanoate
CID 67878024
7-oxabicyclo[4.1.0]heptan-1-yl acetate
CID 539060
[(1R,2R)-2-hydroxy-1-methylcyclohexyl] acetate
CID 11062866
(1-methyl-4-propan-2-ylcyclohexyl) 2-fluoroprop-2-enoate
CID 69329471
2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 67386865
(1-methyl-4-propan-2-ylcyclohexyl) (3R)-3-hydroxybutanoate
CID 86647225

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propan-2-ylcyclononyl) acetate?
The IUPAC name of (1-methyl-5-propan-2-ylcyclononyl) acetate (CID 90798249) is (1-methyl-5-propan-2-ylcyclononyl) acetate.
What is the SMILES notation for (1-methyl-5-propan-2-ylcyclononyl) acetate?
The canonical SMILES for (1-methyl-5-propan-2-ylcyclononyl) acetate is CC(=O)OC1(C)CCCCC(C(C)C)CCC1.
What is the InChIKey of (1-methyl-5-propan-2-ylcyclononyl) acetate?
The InChIKey is LYAXVALUNGMRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)14-8-5-6-10-15(4,11-7-9-14)17-13(3)16/h12,14H,5-11H2,1-4H3.
What are the key properties of (1-methyl-5-propan-2-ylcyclononyl) acetate?
(1-methyl-5-propan-2-ylcyclononyl) acetate has a molecular weight of 240.39 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propan-2-ylcyclononyl) acetate is sourced from PubChem (CID 90798249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).