[(2S)-2-ethylhexyl] acetate

C10H20O2 — CID 10654786

IUPAC[(2S)-2-ethylhexyl] acetate
SMILESCCCC[C@H](CC)COC(C)=O
InChIInChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyWOYWLLHHWAMFCB-JTQLQIEISA-N
MW172.27 g/mol
LogP2.77
Rot. Bonds6

About [(2S)-2-ethylhexyl] acetate

[(2S)-2-ethylhexyl] acetate (PubChem CID 10654786) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2S)-2-ethylhexyl] acetate.

Molecular Properties

Compound Name[(2S)-2-ethylhexyl] acetate
PubChem CID10654786
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(2S)-2-ethylhexyl] acetate
SMILESCCCC[C@H](CC)COC(C)=O
InChIInChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyWOYWLLHHWAMFCB-JTQLQIEISA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethylhexyl] acetate?
The IUPAC name of [(2S)-2-ethylhexyl] acetate (CID 10654786) is [(2S)-2-ethylhexyl] acetate.
What is the SMILES notation for [(2S)-2-ethylhexyl] acetate?
The canonical SMILES for [(2S)-2-ethylhexyl] acetate is CCCC[C@H](CC)COC(C)=O.
What is the InChIKey of [(2S)-2-ethylhexyl] acetate?
The InChIKey is WOYWLLHHWAMFCB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2S)-2-ethylhexyl] acetate?
[(2S)-2-ethylhexyl] acetate has a molecular weight of 172.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethylhexyl] acetate is sourced from PubChem (CID 10654786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).