spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one

C11H14O3 — CID 559884

IUPACspiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one
SMILESO=C1CCC2=C1CC1(CC2)OCCO1
InChIInChI=1S/C11H14O3/c12-10-2-1-8-3-4-11(7-9(8)10)13-5-6-14-11/h1-7H2
InChIKeyPHIRRPMYYIABDC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.57
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one

spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one (PubChem CID 559884) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one
PubChem CID559884
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namespiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one
SMILESO=C1CCC2=C1CC1(CC2)OCCO1
InChIInChI=1S/C11H14O3/c12-10-2-1-8-3-4-11(7-9(8)10)13-5-6-14-11/h1-7H2
InChIKeyPHIRRPMYYIABDC-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethan-1-one
CID 13227207
1-(8-Hydroxy-1,4-dioxaspiro[4.5]dec-7-EN-7-YL)ethan-1-one
CID 90370115
Spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene]-7'-one
CID 11116640
3-(1,3-Dioxolan-2-ylmethyl)cyclohex-2-en-1-one
CID 11651252

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one (CID 559884) is spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one is O=C1CCC2=C1CC1(CC2)OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one?
The InChIKey is PHIRRPMYYIABDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-2-1-8-3-4-11(7-9(8)10)13-5-6-14-11/h1-7H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one?
spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one has a molecular weight of 194.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-one is sourced from PubChem (CID 559884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).