6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one

C11H14O3 — CID 13285056

IUPAC6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one
SMILESCC12CC(=O)C=C1CCC21OCCO1
InChIInChI=1S/C11H14O3/c1-10-7-9(12)6-8(10)2-3-11(10)13-4-5-14-11/h6H,2-5,7H2,1H3
InChIKeyOOENKOKFHFVEEC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.43
Rot. Bonds

About 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one

6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one (PubChem CID 13285056) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one.

Molecular Properties

Compound Name6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one
PubChem CID13285056
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one
SMILESCC12CC(=O)C=C1CCC21OCCO1
InChIInChI=1S/C11H14O3/c1-10-7-9(12)6-8(10)2-3-11(10)13-4-5-14-11/h6H,2-5,7H2,1H3
InChIKeyOOENKOKFHFVEEC-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7'aS)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 11052846
(7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 10750873
7'a-Methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 13033857
7,10-Dioxadispiro[4.0.46.35]tridec-2-en-4-one
CID 11106230
6'-Acetyl-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 90885191
(1Z)-1-(9-ethyl-9-methyl-1,4-dioxaspiro[4.4]nonan-8-ylidene)propan-2-one
CID 143857377
(6'aR)-6'a-methylspiro[1,3-dioxane-2,6'-4,5-dihydro-1H-pentalene]-2'-one
CID 101021721
(6R,6aR)-6-(ethoxymethoxy)-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101073828
(6S,6aR)-6-(ethoxymethoxy)-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101073829
(5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one
CID 101140100
1'-Methylspiro[1,3-dioxolane-2,6'-1,4,5,6a-tetrahydropentalene]-2'-one
CID 101791374

Frequently Asked Questions

What is the IUPAC name of 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one?
The IUPAC name of 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one (CID 13285056) is 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one.
What is the SMILES notation for 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one?
The canonical SMILES for 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one is CC12CC(=O)C=C1CCC21OCCO1.
What is the InChIKey of 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one?
The InChIKey is OOENKOKFHFVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-10-7-9(12)6-8(10)2-3-11(10)13-4-5-14-11/h6H,2-5,7H2,1H3.
What are the key properties of 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one?
6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one has a molecular weight of 194.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'a-methylspiro[1,3-dioxolane-2,6'-4,5-dihydro-1H-pentalene]-2'-one is sourced from PubChem (CID 13285056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).