(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione

C15H22O4 — CID 166448826

IUPAC(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione
SMILESC[C@@H]1CCC23OC(=O)C[C@]12CC(=O)C(C)(O)C3(C)C
InChIInChI=1S/C15H22O4/c1-9-5-6-15-12(2,3)13(4,18)10(16)7-14(9,15)8-11(17)19-15/h9,18H,5-8H2,1-4H3/t9-,13?,14-,15?/m1/s1
InChIKeyMJZSMTHDLBEPSN-PWOGQNRQSA-N
MW266.34 g/mol
LogP1.84
Rot. Bonds

About (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione

(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione (PubChem CID 166448826) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione.

Molecular Properties

Compound Name(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione
PubChem CID166448826
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione
SMILESC[C@@H]1CCC23OC(=O)C[C@]12CC(=O)C(C)(O)C3(C)C
InChIInChI=1S/C15H22O4/c1-9-5-6-15-12(2,3)13(4,18)10(16)7-14(9,15)8-11(17)19-15/h9,18H,5-8H2,1-4H3/t9-,13?,14-,15?/m1/s1
InChIKeyMJZSMTHDLBEPSN-PWOGQNRQSA-N
XLogP1.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
4,4,5,5-tetramethyloxolan-2-one
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4,5,5,6,6-pentamethyloxan-2-one
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5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 20789692
(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
CID 11789099
2,2,6-trihydroxy-1-methyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141021336
5,6,6-trimethyloxan-2-one
CID 20872380
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(4R)-7-hydroxy-7-methyl-4-prop-1-en-2-yloxepan-2-one
CID 53297421
4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
CID 71103192
(1R,2R,4S,5R,6S,13R)-4,5-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
CID 177397625

Frequently Asked Questions

What is the IUPAC name of (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione?
The IUPAC name of (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione (CID 166448826) is (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione.
What is the SMILES notation for (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione?
The canonical SMILES for (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione is C[C@@H]1CCC23OC(=O)C[C@]12CC(=O)C(C)(O)C3(C)C.
What is the InChIKey of (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione?
The InChIKey is MJZSMTHDLBEPSN-PWOGQNRQSA-N. The full InChI is InChI=1S/C15H22O4/c1-9-5-6-15-12(2,3)13(4,18)10(16)7-14(9,15)8-11(17)19-15/h9,18H,5-8H2,1-4H3/t9-,13?,14-,15?/m1/s1.
What are the key properties of (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione?
(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione has a molecular weight of 266.34 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione is sourced from PubChem (CID 166448826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).