2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one

C17H20O2 — CID 175502092

IUPAC2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one
SMILESC=CCOC1C=C2C(=O)C=CC=C2C12CCCCC2
InChIInChI=1S/C17H20O2/c1-2-11-19-16-12-13-14(7-6-8-15(13)18)17(16)9-4-3-5-10-17/h2,6-8,12,16H,1,3-5,9-11H2
InChIKeyYKAAYZIZXXNVFE-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.51
Rot. Bonds3

About 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one

2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one (PubChem CID 175502092) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one
PubChem CID175502092
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one
SMILESC=CCOC1C=C2C(=O)C=CC=C2C12CCCCC2
InChIInChI=1S/C17H20O2/c1-2-11-19-16-12-13-14(7-6-8-15(13)18)17(16)9-4-3-5-10-17/h2,6-8,12,16H,1,3-5,9-11H2
InChIKeyYKAAYZIZXXNVFE-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-[(3E,5E,7E,9E,11Z)-2-methoxy-3,7-dimethyltrideca-3,5,7,9,11-pentaenyl]-2,4,4,6-tetramethylcyclohex-2-en-1-one
CID 59946434

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one?
The IUPAC name of 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one (CID 175502092) is 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one?
The canonical SMILES for 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one is C=CCOC1C=C2C(=O)C=CC=C2C12CCCCC2.
What is the InChIKey of 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one?
The InChIKey is YKAAYZIZXXNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-11-19-16-12-13-14(7-6-8-15(13)18)17(16)9-4-3-5-10-17/h2,6-8,12,16H,1,3-5,9-11H2.
What are the key properties of 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one?
2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one has a molecular weight of 256.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyspiro[2H-indene-1,1'-cyclohexane]-4-one is sourced from PubChem (CID 175502092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).