(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one

C19H32O2 — CID 46223219

IUPAC(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one
SMILESCC1(C)CCC[C@]2(C)[C@H]3CCC(=O)CCO[C@]3(C)CC[C@@H]12
InChIInChI=1S/C19H32O2/c1-17(2)10-5-11-18(3)15(17)8-12-19(4)16(18)7-6-14(20)9-13-21-19/h15-16H,5-13H2,1-4H3/t15-,16+,18-,19+/m0/s1
InChIKeyYEHFGGBRCFRTRK-OGWHTMIXSA-N
MW292.46 g/mol
LogP4.76
Rot. Bonds

About (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one

(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one (PubChem CID 46223219) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one.

Molecular Properties

Compound Name(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one
PubChem CID46223219
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one
SMILESCC1(C)CCC[C@]2(C)[C@H]3CCC(=O)CCO[C@]3(C)CC[C@@H]12
InChIInChI=1S/C19H32O2/c1-17(2)10-5-11-18(3)15(17)8-12-19(4)16(18)7-6-14(20)9-13-21-19/h15-16H,5-13H2,1-4H3/t15-,16+,18-,19+/m0/s1
InChIKeyYEHFGGBRCFRTRK-OGWHTMIXSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one?
The IUPAC name of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one (CID 46223219) is (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one.
What is the SMILES notation for (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one?
The canonical SMILES for (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one is CC1(C)CCC[C@]2(C)[C@H]3CCC(=O)CCO[C@]3(C)CC[C@@H]12.
What is the InChIKey of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one?
The InChIKey is YEHFGGBRCFRTRK-OGWHTMIXSA-N. The full InChI is InChI=1S/C19H32O2/c1-17(2)10-5-11-18(3)15(17)8-12-19(4)16(18)7-6-14(20)9-13-21-19/h15-16H,5-13H2,1-4H3/t15-,16+,18-,19+/m0/s1.
What are the key properties of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one?
(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one has a molecular weight of 292.46 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-one is sourced from PubChem (CID 46223219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).