1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one

C15H22O3 — CID 10911941

IUPAC1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(CC=C)CCCC12OCCO2
InChIInChI=1S/C15H22O3/c1-3-5-7-13(16)14(8-4-2)9-6-10-15(14)17-11-12-18-15/h3-4H,1-2,5-12H2
InChIKeyJFVUXJOIBZEBIL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.01
Rot. Bonds6

About 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one

1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one (PubChem CID 10911941) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one
PubChem CID10911941
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(CC=C)CCCC12OCCO2
InChIInChI=1S/C15H22O3/c1-3-5-7-13(16)14(8-4-2)9-6-10-15(14)17-11-12-18-15/h3-4H,1-2,5-12H2
InChIKeyJFVUXJOIBZEBIL-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one?
The IUPAC name of 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one (CID 10911941) is 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one?
The canonical SMILES for 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one is C=CCCC(=O)C1(CC=C)CCCC12OCCO2.
What is the InChIKey of 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one?
The InChIKey is JFVUXJOIBZEBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-5-7-13(16)14(8-4-2)9-6-10-15(14)17-11-12-18-15/h3-4H,1-2,5-12H2.
What are the key properties of 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one?
1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)pent-4-en-1-one is sourced from PubChem (CID 10911941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).