[(2S)-1-cyclododecylpropan-2-yl] acetate

C17H32O2 — CID 7452366

IUPAC[(2S)-1-cyclododecylpropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)CC1CCCCCCCCCCC1
InChIInChI=1S/C17H32O2/c1-15(19-16(2)18)14-17-12-10-8-6-4-3-5-7-9-11-13-17/h15,17H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyWLNFEAFZQZAWQY-HNNXBMFYSA-N
MW268.44 g/mol
LogP5.25
Rot. Bonds3

About [(2S)-1-cyclododecylpropan-2-yl] acetate

[(2S)-1-cyclododecylpropan-2-yl] acetate (PubChem CID 7452366) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is [(2S)-1-cyclododecylpropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-cyclododecylpropan-2-yl] acetate
PubChem CID7452366
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name[(2S)-1-cyclododecylpropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)CC1CCCCCCCCCCC1
InChIInChI=1S/C17H32O2/c1-15(19-16(2)18)14-17-12-10-8-6-4-3-5-7-9-11-13-17/h15,17H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyWLNFEAFZQZAWQY-HNNXBMFYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylethyl acetate
CID 12705472
1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
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2-ethoxypropylcyclohexane
CID 57126788
1-(3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)propan-2-yl acetate
CID 163807629
1-(1,2-dimethylpiperidin-1-ium-1-yl)propan-2-yl acetate
CID 71323283
3-amino-4-cyclohexylbutan-2-one
CID 20668322
methyl N-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 59259280
1-cyclohexylbut-3-enyl acetate
CID 11481011
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
CID 23254791
1-(5-oxocyclohex-3-en-1-yl)propan-2-yl acetate
CID 132561693
butanoic acid;1-cyclohexylethyl acetate
CID 175401865

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclododecylpropan-2-yl] acetate?
The IUPAC name of [(2S)-1-cyclododecylpropan-2-yl] acetate (CID 7452366) is [(2S)-1-cyclododecylpropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-cyclododecylpropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-cyclododecylpropan-2-yl] acetate is CC(=O)O[C@@H](C)CC1CCCCCCCCCCC1.
What is the InChIKey of [(2S)-1-cyclododecylpropan-2-yl] acetate?
The InChIKey is WLNFEAFZQZAWQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32O2/c1-15(19-16(2)18)14-17-12-10-8-6-4-3-5-7-9-11-13-17/h15,17H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-1-cyclododecylpropan-2-yl] acetate?
[(2S)-1-cyclododecylpropan-2-yl] acetate has a molecular weight of 268.44 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclododecylpropan-2-yl] acetate is sourced from PubChem (CID 7452366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).