(1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one

C16H24O3 — CID 130318620

IUPAC(1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one
SMILESC[C@@H]1CC2(CC3C(=O)C4[C@H](C4(C)C)[C@]31C)OCCO2
InChIInChI=1S/C16H24O3/c1-9-7-16(18-5-6-19-16)8-10-12(17)11-13(14(11,2)3)15(9,10)4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?,13-,15+/m1/s1
InChIKeyWBSSJBCFSKMGPZ-YXJLOLHYSA-N
MW264.36 g/mol
LogP2.64
Rot. Bonds

About (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one

(1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one (PubChem CID 130318620) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one.

Molecular Properties

Compound Name(1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one
PubChem CID130318620
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one
SMILESC[C@@H]1CC2(CC3C(=O)C4[C@H](C4(C)C)[C@]31C)OCCO2
InChIInChI=1S/C16H24O3/c1-9-7-16(18-5-6-19-16)8-10-12(17)11-13(14(11,2)3)15(9,10)4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?,13-,15+/m1/s1
InChIKeyWBSSJBCFSKMGPZ-YXJLOLHYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one?
The IUPAC name of (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one (CID 130318620) is (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one.
What is the SMILES notation for (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one?
The canonical SMILES for (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one is C[C@@H]1CC2(CC3C(=O)C4[C@H](C4(C)C)[C@]31C)OCCO2.
What is the InChIKey of (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one?
The InChIKey is WBSSJBCFSKMGPZ-YXJLOLHYSA-N. The full InChI is InChI=1S/C16H24O3/c1-9-7-16(18-5-6-19-16)8-10-12(17)11-13(14(11,2)3)15(9,10)4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?,13-,15+/m1/s1.
What are the key properties of (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one?
(1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one has a molecular weight of 264.36 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'aR,1'bR,2'R)-1',1',1'b,2'-tetramethylspiro[1,3-dioxolane-2,4'-1a,2,3,5,5a,6a-hexahydrocyclopropa[a]indene]-6'-one is sourced from PubChem (CID 130318620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).