[(E)-2-methylhex-4-en-3-yl] acetate

C9H16O2 — CID 13444199

IUPAC[(E)-2-methylhex-4-en-3-yl] acetate
SMILESC/C=C/C(OC(C)=O)C(C)C
InChIInChI=1S/C9H16O2/c1-5-6-9(7(2)3)11-8(4)10/h5-7,9H,1-4H3/b6-5+
InChIKeyFJVIDFMUGRZIMF-AATRIKPKSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds3

About [(E)-2-methylhex-4-en-3-yl] acetate

[(E)-2-methylhex-4-en-3-yl] acetate (PubChem CID 13444199) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(E)-2-methylhex-4-en-3-yl] acetate.

Molecular Properties

Compound Name[(E)-2-methylhex-4-en-3-yl] acetate
PubChem CID13444199
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(E)-2-methylhex-4-en-3-yl] acetate
SMILESC/C=C/C(OC(C)=O)C(C)C
InChIInChI=1S/C9H16O2/c1-5-6-9(7(2)3)11-8(4)10/h5-7,9H,1-4H3/b6-5+
InChIKeyFJVIDFMUGRZIMF-AATRIKPKSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylhex-4-en-3-yl] acetate?
The IUPAC name of [(E)-2-methylhex-4-en-3-yl] acetate (CID 13444199) is [(E)-2-methylhex-4-en-3-yl] acetate.
What is the SMILES notation for [(E)-2-methylhex-4-en-3-yl] acetate?
The canonical SMILES for [(E)-2-methylhex-4-en-3-yl] acetate is C/C=C/C(OC(C)=O)C(C)C.
What is the InChIKey of [(E)-2-methylhex-4-en-3-yl] acetate?
The InChIKey is FJVIDFMUGRZIMF-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6-9(7(2)3)11-8(4)10/h5-7,9H,1-4H3/b6-5+.
What are the key properties of [(E)-2-methylhex-4-en-3-yl] acetate?
[(E)-2-methylhex-4-en-3-yl] acetate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylhex-4-en-3-yl] acetate is sourced from PubChem (CID 13444199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).