9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one

C12H16O3 — CID 11138305

IUPAC9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one
SMILESO=C1C=CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H16O3/c13-10-1-2-11(9-10)3-5-12(6-4-11)14-7-8-15-12/h1-2H,3-9H2
InChIKeyVIIDZBSKWFCRTK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds

About 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one

9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one (PubChem CID 11138305) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one.

Molecular Properties

Compound Name9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one
PubChem CID11138305
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one
SMILESO=C1C=CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H16O3/c13-10-1-2-11(9-10)3-5-12(6-4-11)14-7-8-15-12/h1-2H,3-9H2
InChIKeyVIIDZBSKWFCRTK-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7'a-Methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydroindene]-1'-one
CID 13033855
1,4-Dioxadispiro[4.1.57.35]pentadec-8-en-10-one
CID 85988981
4'a-prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 359242
7'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one
CID 359514
(3'aS,7'aR)-7'a-methylspiro[1,3-dioxolane-2,5'-3a,4,6,7-tetrahydroindene]-1'-one
CID 53243679
(3'aR,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-3a,4,6,7-tetrahydroindene]-1'-one
CID 62706297
7'a-Methylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindene]-2'-one
CID 134838852
4'a-methylspiro[1,3-dioxolane-2,7'-4,5,6,8-tetrahydro-3H-naphthalene]-2'-one
CID 134859275
4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-2-enylcyclohex-2-en-1-one
CID 139249584
(1R,5S)-5-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 139249585
(7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydroindene]-1'-one
CID 145994538
4-(1,4-Dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
CID 155930758

Frequently Asked Questions

What is the IUPAC name of 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one?
The IUPAC name of 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one (CID 11138305) is 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one.
What is the SMILES notation for 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one?
The canonical SMILES for 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one is O=C1C=CC2(CCC3(CC2)OCCO3)C1.
What is the InChIKey of 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one?
The InChIKey is VIIDZBSKWFCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-10-1-2-11(9-10)3-5-12(6-4-11)14-7-8-15-12/h1-2H,3-9H2.
What are the key properties of 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one?
9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dioxadispiro[4.2.48.25]tetradec-3-en-2-one is sourced from PubChem (CID 11138305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).