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

C11H16O3 — CID 85287811

IUPACspiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one
SMILESO=C1CCC2C(CCC23OCCO3)C1
InChIInChI=1S/C11H16O3/c12-9-1-2-10-8(7-9)3-4-11(10)13-5-6-14-11/h8,10H,1-7H2
InChIKeyNPQKFMDQRMRWER-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds

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

spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one (PubChem CID 85287811) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one
PubChem CID85287811
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namespiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one
SMILESO=C1CCC2C(CCC23OCCO3)C1
InChIInChI=1S/C11H16O3/c12-9-1-2-10-8(7-9)3-4-11(10)13-5-6-14-11/h8,10H,1-7H2
InChIKeyNPQKFMDQRMRWER-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3'aS,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-1'-one
CID 25023483
(3aR,7aS)-3a-prop-2-ynylspiro[1,3,4,6,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-5-one
CID 359512
(6'S)-6'-fluorospiro[1,3-dioxolane-2,2'-3,3a,4,6,7,7a-hexahydro-1H-indene]-5'-one
CID 117907653
(3'R,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-1'-one
CID 62706299
(3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-1'-one
CID 62706300
1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone
CID 71518305
(3'aR,4'R,7'aR)-3',3',3'a,4',7'a-pentamethylspiro[1,3-dioxolane-2,2'-1,4,6,7-tetrahydroindene]-5'-one
CID 135019992
(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one
CID 135021706
(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one
CID 135039758
(3'aR,7'aR)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-1'-one
CID 135041171
Spiro(1,3-dioxolane)-2,1'-(cyclopentacyclotridecan-4'-one)
CID 567356
(3'aS,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,3a,4,6,7-hexahydroindene]-5'-one
CID 10656069

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one?
The IUPAC name of spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one (CID 85287811) is spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one is O=C1CCC2C(CCC23OCCO3)C1.
What is the InChIKey of spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one?
The InChIKey is NPQKFMDQRMRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-1-2-10-8(7-9)3-4-11(10)13-5-6-14-11/h8,10H,1-7H2.
What are the key properties of spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one?
spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 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-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one is sourced from PubChem (CID 85287811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).