(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione

C15H22O5 — CID 15276056

IUPAC(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione
SMILESCO[C@H]1CC[C@]2(C)CC(=O)CC[C@H]3CC(=O)O[C@@H]3[C@H]2O1
InChIInChI=1S/C15H22O5/c1-15-6-5-12(18-2)20-14(15)13-9(7-11(17)19-13)3-4-10(16)8-15/h9,12-14H,3-8H2,1-2H3/t9-,12+,13-,14+,15+/m0/s1
InChIKeyYPPZIKYIYCFVLB-KGKICYMHSA-N
MW282.34 g/mol
LogP1.83
Rot. Bonds1

About (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione

(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione (PubChem CID 15276056) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione.

Molecular Properties

Compound Name(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione
PubChem CID15276056
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione
SMILESCO[C@H]1CC[C@]2(C)CC(=O)CC[C@H]3CC(=O)O[C@@H]3[C@H]2O1
InChIInChI=1S/C15H22O5/c1-15-6-5-12(18-2)20-14(15)13-9(7-11(17)19-13)3-4-10(16)8-15/h9,12-14H,3-8H2,1-2H3/t9-,12+,13-,14+,15+/m0/s1
InChIKeyYPPZIKYIYCFVLB-KGKICYMHSA-N
XLogP1.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione with MolForge

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Related Compounds

[(6R,9R,10S)-6,10-dimethyl-9-[(2S)-3-oxopentan-2-yl]-1,4,8-trioxaspiro[4.5]decan-7-yl] 2,2-dimethylpropanoate
CID 46703151
Ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 118225260
[(3R,5S)-2-acetoxy-5-(1-acetoxypropyl)tetrahydrofuran-3-yl]acetate
CID 131748585
5-[2-Cyclohexyl-1-(oxan-2-yloxy)ethyl]oxolan-2-one
CID 141775306
CID 10864397
CID 10864397
(1R,4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 14489264
3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one
CID 15658435
[1-(3,3-Dimethyl-5-oxooxolan-2-yl)-3-methylbutyl] acetate
CID 85779844
(1R,2S,6R,9R,11R,14R)-9-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecan-4-one
CID 99961171
(1R,2S,6S,9R,11R,14R)-9-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecan-4-one
CID 99961173
[3,3-Dimethyl-1-(3-methyl-5-oxooxolan-2-yl)butyl] acetate
CID 101371020
ethyl (3R)-3-methyl-4-[(1S,3R,5S)-3-methyl-6,8-dioxabicyclo[3.2.1]octan-5-yl]butanoate
CID 101945114

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione?
The IUPAC name of (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione (CID 15276056) is (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione.
What is the SMILES notation for (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione?
The canonical SMILES for (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione is CO[C@H]1CC[C@]2(C)CC(=O)CC[C@H]3CC(=O)O[C@@H]3[C@H]2O1.
What is the InChIKey of (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione?
The InChIKey is YPPZIKYIYCFVLB-KGKICYMHSA-N. The full InChI is InChI=1S/C15H22O5/c1-15-6-5-12(18-2)20-14(15)13-9(7-11(17)19-13)3-4-10(16)8-15/h9,12-14H,3-8H2,1-2H3/t9-,12+,13-,14+,15+/m0/s1.
What are the key properties of (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione?
(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione has a molecular weight of 282.34 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione is sourced from PubChem (CID 15276056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).