(1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]

C20H24O2 — CID 134956225

IUPAC(1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]
SMILESCC1(C)OCC2(CO1)C[C@H]1C[C@@]1(C1=CCc3ccccc31)C2
InChIInChI=1S/C20H24O2/c1-18(2)21-12-19(13-22-18)9-15-10-20(15,11-19)17-8-7-14-5-3-4-6-16(14)17/h3-6,8,15H,7,9-13H2,1-2H3/t15-,20+/m0/s1
InChIKeyKOQGPCWFUCIXEV-MGPUTAFESA-N
MW296.41 g/mol
LogP4.20
Rot. Bonds1

About (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]

(1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane] (PubChem CID 134956225) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name(1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]
PubChem CID134956225
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]
SMILESCC1(C)OCC2(CO1)C[C@H]1C[C@@]1(C1=CCc3ccccc31)C2
InChIInChI=1S/C20H24O2/c1-18(2)21-12-19(13-22-18)9-15-10-20(15,11-19)17-8-7-14-5-3-4-6-16(14)17/h3-6,8,15H,7,9-13H2,1-2H3/t15-,20+/m0/s1
InChIKeyKOQGPCWFUCIXEV-MGPUTAFESA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane] with MolForge

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Related Compounds

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(1S,2S,5R,7R)-1-deuterio-5,7-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
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Frequently Asked Questions

What is the IUPAC name of (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]?
The IUPAC name of (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane] (CID 134956225) is (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane].
What is the SMILES notation for (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]?
The canonical SMILES for (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane] is CC1(C)OCC2(CO1)C[C@H]1C[C@@]1(C1=CCc3ccccc31)C2.
What is the InChIKey of (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]?
The InChIKey is KOQGPCWFUCIXEV-MGPUTAFESA-N. The full InChI is InChI=1S/C20H24O2/c1-18(2)21-12-19(13-22-18)9-15-10-20(15,11-19)17-8-7-14-5-3-4-6-16(14)17/h3-6,8,15H,7,9-13H2,1-2H3/t15-,20+/m0/s1.
What are the key properties of (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane]?
(1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane] has a molecular weight of 296.41 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'R)-1'-(3H-inden-1-yl)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 134956225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).