[(3R)-non-1-en-3-yl] acetate

C11H20O2 — CID 92281382

IUPAC[(3R)-non-1-en-3-yl] acetate
SMILESCCCCCC[C@H](C=C)OC(=O)C
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3/t11-/m0/s1
InChIKeyPUWRLDPHAKKTKR-NSHDSACASA-N
MW184.27 g/mol
LogP3.70
Rot. Bonds8

About [(3R)-non-1-en-3-yl] acetate

[(3R)-non-1-en-3-yl] acetate (PubChem CID 92281382) has the molecular formula C11H20O2 and a molecular weight of 184.27 g/mol. Its IUPAC name is [(3R)-non-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-non-1-en-3-yl] acetate
PubChem CID92281382
Molecular FormulaC11H20O2
Molecular Weight184.27 g/mol
Exact Mass184.15
IUPAC Name[(3R)-non-1-en-3-yl] acetate
SMILESCCCCCC[C@H](C=C)OC(=O)C
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3/t11-/m0/s1
InChIKeyPUWRLDPHAKKTKR-NSHDSACASA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-yl acetate
CID 17121
1-Octen-3-yl butyrate
CID 27892
9-Decenyl acetate
CID 39801
10-Undecen-1-yl acetate
CID 61035
5-hexylfuran-2(5H)-one
CID 102833
1-Nonen-3-ol, 3-acetate
CID 169364
3-Acetylpanaxydol
CID 129509
Ginsenoyne F
CID 15725812
5-Octyl-2(5H)-furanone
CID 86623
1-Decen-3-ol, 3-acetate
CID 92618
10-Undecenyl acrylate
CID 543354
Propanoic acid, 2-methyl-, 1-ethenylhexyl ester
CID 3022986

Frequently Asked Questions

What is the IUPAC name of [(3R)-non-1-en-3-yl] acetate?
The IUPAC name of [(3R)-non-1-en-3-yl] acetate (CID 92281382) is [(3R)-non-1-en-3-yl] acetate.
What is the SMILES notation for [(3R)-non-1-en-3-yl] acetate?
The canonical SMILES for [(3R)-non-1-en-3-yl] acetate is CCCCCC[C@H](C=C)OC(=O)C.
What is the InChIKey of [(3R)-non-1-en-3-yl] acetate?
The InChIKey is PUWRLDPHAKKTKR-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3/t11-/m0/s1.
What are the key properties of [(3R)-non-1-en-3-yl] acetate?
[(3R)-non-1-en-3-yl] acetate has a molecular weight of 184.27 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-non-1-en-3-yl] acetate is sourced from PubChem (CID 92281382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).