2-ethylhexyl acetate

C10H20O2 — CID 7635

IUPAC2-ethylhexyl acetate
SMILESCCCCC(CC)COC(C)=O
InChIInChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
InChIKeyWOYWLLHHWAMFCB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.77
Rot. Bonds6

About 2-ethylhexyl acetate

2-ethylhexyl acetate (PubChem CID 7635) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethylhexyl acetate.

Molecular Properties

Compound Name2-ethylhexyl acetate
PubChem CID7635
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethylhexyl acetate
SMILESCCCCC(CC)COC(C)=O
InChIInChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
InChIKeyWOYWLLHHWAMFCB-UHFFFAOYSA-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 2-ethylhexyl acetate?
The IUPAC name of 2-ethylhexyl acetate (CID 7635) is 2-ethylhexyl acetate.
What is the SMILES notation for 2-ethylhexyl acetate?
The canonical SMILES for 2-ethylhexyl acetate is CCCCC(CC)COC(C)=O.
What is the InChIKey of 2-ethylhexyl acetate?
The InChIKey is WOYWLLHHWAMFCB-UHFFFAOYSA-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.
What are the key properties of 2-ethylhexyl acetate?
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 2-ethylhexyl acetate is sourced from PubChem (CID 7635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).