(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one

C15H22O3 — CID 10586778

IUPAC(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one
SMILESCC1(C)COC2(C[C@H]3CC[C@H]4C(=O)C[C@@H]2[C@@H]34)OC1
InChIInChI=1S/C15H22O3/c1-14(2)7-17-15(18-8-14)6-9-3-4-10-12(16)5-11(15)13(9)10/h9-11,13H,3-8H2,1-2H3/t9-,10+,11-,13+/m1/s1
InChIKeyAWJIAZDDMKWUES-XZUYRWCXSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds

About (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one

(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one (PubChem CID 10586778) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one.

Molecular Properties

Compound Name(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one
PubChem CID10586778
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one
SMILESCC1(C)COC2(C[C@H]3CC[C@H]4C(=O)C[C@@H]2[C@@H]34)OC1
InChIInChI=1S/C15H22O3/c1-14(2)7-17-15(18-8-14)6-9-3-4-10-12(16)5-11(15)13(9)10/h9-11,13H,3-8H2,1-2H3/t9-,10+,11-,13+/m1/s1
InChIKeyAWJIAZDDMKWUES-XZUYRWCXSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one with MolForge

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Related Compounds

(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
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CID 10490127
(2'R,11'S,12'S,15'S,16'S)-5,5,16'-trimethylspiro[1,3-dioxane-2,6'-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-1(18)-ene]-15'-ol
CID 22849487
(1R,3aS,5aS,10aR,10bS)-1-propan-2-ylspiro[1,2,3,3a,5,5a,7,8,10a,10b-decahydrocyclohepta[e]indene-6,2'-1,3-dioxolane]-4-one
CID 10017925
(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
CID 95564885
(2R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
CID 90482458
(1R,1'R,2R,4S,4'S,7S,7'R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
CID 124785181
5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]
CID 14287443
(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
CID 15262519
7-methyl-1,4-dioxaspiro[2.4]heptan-5-one
CID 535523
(1S,4R,7R)-7-chlorobicyclo[2.2.1]heptan-2-one
CID 15262521
(1S,2R,3R,8R,9S,10S)-6,6,8-trimethyltetracyclo[8.2.1.02,9.03,8]tridecan-4-one
CID 124935588

Frequently Asked Questions

What is the IUPAC name of (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one?
The IUPAC name of (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one (CID 10586778) is (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one.
What is the SMILES notation for (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one?
The canonical SMILES for (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one is CC1(C)COC2(C[C@H]3CC[C@H]4C(=O)C[C@@H]2[C@@H]34)OC1.
What is the InChIKey of (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one?
The InChIKey is AWJIAZDDMKWUES-XZUYRWCXSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)7-17-15(18-8-14)6-9-3-4-10-12(16)5-11(15)13(9)10/h9-11,13H,3-8H2,1-2H3/t9-,10+,11-,13+/m1/s1.
What are the key properties of (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one?
(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one has a molecular weight of 250.34 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one is sourced from PubChem (CID 10586778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).