(3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone

C17H24O4 — CID 163913783

IUPAC(3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone
SMILESC=C(C)C1OC1C(=O)C1=C(C)CCC2(OCCO2)C1(C)C
InChIInChI=1S/C17H24O4/c1-10(2)14-15(21-14)13(18)12-11(3)6-7-17(16(12,4)5)19-8-9-20-17/h14-15H,1,6-9H2,2-5H3
InChIKeyQULSRPFTPLECAD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.78
Rot. Bonds3

About (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone

(3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone (PubChem CID 163913783) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone.

Molecular Properties

Compound Name(3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone
PubChem CID163913783
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone
SMILESC=C(C)C1OC1C(=O)C1=C(C)CCC2(OCCO2)C1(C)C
InChIInChI=1S/C17H24O4/c1-10(2)14-15(21-14)13(18)12-11(3)6-7-17(16(12,4)5)19-8-9-20-17/h14-15H,1,6-9H2,2-5H3
InChIKeyQULSRPFTPLECAD-UHFFFAOYSA-N
XLogP2.78
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl (E)-3-methyl-4-oxo-5-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)pent-2-enoate
CID 11131090
2,2-dimethylcyclopentane-1,3-dione;9,9-dimethyl-1,4-dioxaspiro[4.4]nonan-8-one
CID 158688642
6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
CID 91493617
[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate
CID 11144191
4'a,5',5',8'a-tetramethyl-1'-oxospiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-carboxylic acid
CID 123499726
8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-carbonitrile
CID 3345954
1-[(3aS,3bR,5aS,6R,8aR,8bS)-1,3a,5a,8a-tetramethyl-3,3b,4,5,6,7,8,8b,9,10-decahydro-2H-indeno[5,4-e]inden-6-yl]ethanone
CID 121403119
8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 135272614
(7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 10750873
dimethyl (1'R,4'R)-1'-methylspiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]hept-2-ene]-2',3'-dicarboxylate
CID 14965914
(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
CID 130705827
(4'aR,8'S)-8'-hydroxy-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 24858136

Frequently Asked Questions

What is the IUPAC name of (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone?
The IUPAC name of (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone (CID 163913783) is (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone.
What is the SMILES notation for (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone?
The canonical SMILES for (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone is C=C(C)C1OC1C(=O)C1=C(C)CCC2(OCCO2)C1(C)C.
What is the InChIKey of (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone?
The InChIKey is QULSRPFTPLECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-10(2)14-15(21-14)13(18)12-11(3)6-7-17(16(12,4)5)19-8-9-20-17/h14-15H,1,6-9H2,2-5H3.
What are the key properties of (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone?
(3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-1-en-2-yloxiran-2-yl)-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanone is sourced from PubChem (CID 163913783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).