(6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate

C17H24O3 — CID 162979960

IUPAC(6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate
SMILESC=C(C)C1CCC2(C1)C(C)=CC(=O)C(OC(C)=O)C2C
InChIInChI=1S/C17H24O3/c1-10(2)14-6-7-17(9-14)11(3)8-15(19)16(12(17)4)20-13(5)18/h8,12,14,16H,1,6-7,9H2,2-5H3
InChIKeyMBYMPIVTBYFYFY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.45
Rot. Bonds2

About (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate

(6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate (PubChem CID 162979960) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate.

Molecular Properties

Compound Name(6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate
PubChem CID162979960
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate
SMILESC=C(C)C1CCC2(C1)C(C)=CC(=O)C(OC(C)=O)C2C
InChIInChI=1S/C17H24O3/c1-10(2)14-6-7-17(9-14)11(3)8-15(19)16(12(17)4)20-13(5)18/h8,12,14,16H,1,6-7,9H2,2-5H3
InChIKeyMBYMPIVTBYFYFY-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

21-Hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate
CID 10926647
Anthoptilide C
CID 21775681
(1R,2R,4E,9S)-2-(Acetyloxy)-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-en-3-one
CID 5281514
(16alpha)-21-(Acetyloxy)-16-methyl-pregna-1,4,9(11)-triene-3,20-dione
CID 70565722
Laevinone A
CID 5326391
[(2S,4R,5R,6S,7R)-7-hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] 2-methylpropanoate
CID 10829532
Cespihypotin R
CID 25178793
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 15601421
3-Hydroxysolavetivone
CID 15601422
21-Hydroxypregna-4,9(11),16-triene-3,20-dione 21-acetate
CID 11111384
8-Acetoxy-4-acoren-3-one
CID 85288994
2-[(8Z,12Z)-5,17-dihydroxy-4,8,12,15-tetramethyl-16-oxo-18-bicyclo[13.3.0]octadeca-8,12,17-trienyl]propyl acetate
CID 6477483

Frequently Asked Questions

What is the IUPAC name of (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate?
The IUPAC name of (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate (CID 162979960) is (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate.
What is the SMILES notation for (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate?
The canonical SMILES for (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate is C=C(C)C1CCC2(C1)C(C)=CC(=O)C(OC(C)=O)C2C.
What is the InChIKey of (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate?
The InChIKey is MBYMPIVTBYFYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-10(2)14-6-7-17(9-14)11(3)8-15(19)16(12(17)4)20-13(5)18/h8,12,14,16H,1,6-7,9H2,2-5H3.
What are the key properties of (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate?
(6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate has a molecular weight of 276.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,10-dimethyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]dec-9-en-7-yl) acetate is sourced from PubChem (CID 162979960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).