9-hydroxynona-1,2-dien-4-yl acetate

C11H18O3 — CID 71530774

IUPAC9-hydroxynona-1,2-dien-4-yl acetate
SMILESC=C=CC(CCCCCO)OC(C)=O
InChIInChI=1S/C11H18O3/c1-3-7-11(14-10(2)13)8-5-4-6-9-12/h7,11-12H,1,4-6,8-9H2,2H3
InChIKeyZOQJIUKBHGUHPX-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.81
Rot. Bonds7

About 9-hydroxynona-1,2-dien-4-yl acetate

9-hydroxynona-1,2-dien-4-yl acetate (PubChem CID 71530774) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 9-hydroxynona-1,2-dien-4-yl acetate.

Molecular Properties

Compound Name9-hydroxynona-1,2-dien-4-yl acetate
PubChem CID71530774
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name9-hydroxynona-1,2-dien-4-yl acetate
SMILESC=C=CC(CCCCCO)OC(C)=O
InChIInChI=1S/C11H18O3/c1-3-7-11(14-10(2)13)8-5-4-6-9-12/h7,11-12H,1,4-6,8-9H2,2H3
InChIKeyZOQJIUKBHGUHPX-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxynona-1,2-dien-4-yl acetate?
The IUPAC name of 9-hydroxynona-1,2-dien-4-yl acetate (CID 71530774) is 9-hydroxynona-1,2-dien-4-yl acetate.
What is the SMILES notation for 9-hydroxynona-1,2-dien-4-yl acetate?
The canonical SMILES for 9-hydroxynona-1,2-dien-4-yl acetate is C=C=CC(CCCCCO)OC(C)=O.
What is the InChIKey of 9-hydroxynona-1,2-dien-4-yl acetate?
The InChIKey is ZOQJIUKBHGUHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-7-11(14-10(2)13)8-5-4-6-9-12/h7,11-12H,1,4-6,8-9H2,2H3.
What are the key properties of 9-hydroxynona-1,2-dien-4-yl acetate?
9-hydroxynona-1,2-dien-4-yl acetate has a molecular weight of 198.26 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynona-1,2-dien-4-yl acetate is sourced from PubChem (CID 71530774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).