methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate

C15H26O5 — CID 134860893

IUPACmethyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
SMILESCOC(=O)C(C)(C)[C@@H]1CC[C@H](C)C2(O1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C15H26O5/c1-9-7-8-12(14(4,5)13(16)17-6)20-15(9)18-10(2)11(3)19-15/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-/m0/s1
InChIKeyBRYPCEADZKKYSQ-QCNOEVLYSA-N
MW286.37 g/mol
LogP2.48
Rot. Bonds2

About methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate

methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate (PubChem CID 134860893) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
PubChem CID134860893
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Namemethyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
SMILESCOC(=O)C(C)(C)[C@@H]1CC[C@H](C)C2(O1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C15H26O5/c1-9-7-8-12(14(4,5)13(16)17-6)20-15(9)18-10(2)11(3)19-15/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-/m0/s1
InChIKeyBRYPCEADZKKYSQ-QCNOEVLYSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

8-O-ethyl 8-O'-fluoro 1,4-dioxaspiro[4.5]decane-8,8-dicarboxylate
CID 144500134
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
CID 567367
methyl 2-methyl-2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
CID 13858406
[(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
methyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 101555620
diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate
CID 134998812
Ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate
CID 134998976
Methyl 1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021109
ethyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135041435
Ethyl 7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane-4-carboxylate
CID 540246
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 1-methylcyclohexane-1-carboxylate
CID 54127614
2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
CID 58940093

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate (CID 134860893) is methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate is COC(=O)C(C)(C)[C@@H]1CC[C@H](C)C2(O1)O[C@H](C)[C@@H](C)O2.
What is the InChIKey of methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate?
The InChIKey is BRYPCEADZKKYSQ-QCNOEVLYSA-N. The full InChI is InChI=1S/C15H26O5/c1-9-7-8-12(14(4,5)13(16)17-6)20-15(9)18-10(2)11(3)19-15/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate?
methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate has a molecular weight of 286.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate is sourced from PubChem (CID 134860893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).