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

C11H20O2 — CID 15350714

IUPAC[(E)-3-methyloct-2-en-4-yl] acetate
SMILESC/C=C(\C)C(CCCC)OC(C)=O
InChIInChI=1S/C11H20O2/c1-5-7-8-11(9(3)6-2)13-10(4)12/h6,11H,5,7-8H2,1-4H3/b9-6+
InChIKeyDOPWNSMVZWDEKU-RMKNXTFCSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds5

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

[(E)-3-methyloct-2-en-4-yl] acetate (PubChem CID 15350714) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-3-methyloct-2-en-4-yl] acetate.

Molecular Properties

Compound Name[(E)-3-methyloct-2-en-4-yl] acetate
PubChem CID15350714
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-3-methyloct-2-en-4-yl] acetate
SMILESC/C=C(\C)C(CCCC)OC(C)=O
InChIInChI=1S/C11H20O2/c1-5-7-8-11(9(3)6-2)13-10(4)12/h6,11H,5,7-8H2,1-4H3/b9-6+
InChIKeyDOPWNSMVZWDEKU-RMKNXTFCSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
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)-3-methyloct-2-en-4-yl] acetate?
The IUPAC name of [(E)-3-methyloct-2-en-4-yl] acetate (CID 15350714) is [(E)-3-methyloct-2-en-4-yl] acetate.
What is the SMILES notation for [(E)-3-methyloct-2-en-4-yl] acetate?
The canonical SMILES for [(E)-3-methyloct-2-en-4-yl] acetate is C/C=C(\C)C(CCCC)OC(C)=O.
What is the InChIKey of [(E)-3-methyloct-2-en-4-yl] acetate?
The InChIKey is DOPWNSMVZWDEKU-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-8-11(9(3)6-2)13-10(4)12/h6,11H,5,7-8H2,1-4H3/b9-6+.
What are the key properties of [(E)-3-methyloct-2-en-4-yl] acetate?
[(E)-3-methyloct-2-en-4-yl] acetate has a molecular weight of 184.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methyloct-2-en-4-yl] acetate is sourced from PubChem (CID 15350714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).