1-prop-2-enoxyoct-7-en-2-one

C11H18O2 — CID 101480487

IUPAC1-prop-2-enoxyoct-7-en-2-one
SMILESC=CCCCCC(=O)COCC=C
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-11(12)10-13-9-4-2/h3-4H,1-2,5-10H2
InChIKeyWHAJYPSGCNPOAF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds9

About 1-prop-2-enoxyoct-7-en-2-one

1-prop-2-enoxyoct-7-en-2-one (PubChem CID 101480487) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-prop-2-enoxyoct-7-en-2-one.

Molecular Properties

Compound Name1-prop-2-enoxyoct-7-en-2-one
PubChem CID101480487
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-prop-2-enoxyoct-7-en-2-one
SMILESC=CCCCCC(=O)COCC=C
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-11(12)10-13-9-4-2/h3-4H,1-2,5-10H2
InChIKeyWHAJYPSGCNPOAF-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyoct-7-en-2-one?
The IUPAC name of 1-prop-2-enoxyoct-7-en-2-one (CID 101480487) is 1-prop-2-enoxyoct-7-en-2-one.
What is the SMILES notation for 1-prop-2-enoxyoct-7-en-2-one?
The canonical SMILES for 1-prop-2-enoxyoct-7-en-2-one is C=CCCCCC(=O)COCC=C.
What is the InChIKey of 1-prop-2-enoxyoct-7-en-2-one?
The InChIKey is WHAJYPSGCNPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-7-8-11(12)10-13-9-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 1-prop-2-enoxyoct-7-en-2-one?
1-prop-2-enoxyoct-7-en-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyoct-7-en-2-one is sourced from PubChem (CID 101480487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).