dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate

C14H22O6 — CID 14489533

IUPACdimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate
SMILESCOC(=O)[C@H]1CC2(C[C@H]1C(=O)OC)OCC(C)(C)CO2
InChIInChI=1S/C14H22O6/c1-13(2)7-19-14(20-8-13)5-9(11(15)17-3)10(6-14)12(16)18-4/h9-10H,5-8H2,1-4H3/t9-,10+
InChIKeyJFHJMSZGFHUSOF-AOOOYVTPSA-N
MW286.32 g/mol
LogP1.13
Rot. Bonds2

About dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate

dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate (PubChem CID 14489533) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate
PubChem CID14489533
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Namedimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate
SMILESCOC(=O)[C@H]1CC2(C[C@H]1C(=O)OC)OCC(C)(C)CO2
InChIInChI=1S/C14H22O6/c1-13(2)7-19-14(20-8-13)5-9(11(15)17-3)10(6-14)12(16)18-4/h9-10H,5-8H2,1-4H3/t9-,10+
InChIKeyJFHJMSZGFHUSOF-AOOOYVTPSA-N
XLogP1.13
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4aR,5S,6S,7aS)-2,2,5-trimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxine-6-carboxylate
CID 10889663
(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813508
(1R,2R,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813509
methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813510
methyl (1S,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135037971
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504
8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic Acid
CID 11535852
Dimethyl 1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774285
dimethyl (7R,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774286
dimethyl (7S,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774287
Ethyl 7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089481
ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089482

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate?
The IUPAC name of dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate (CID 14489533) is dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate is COC(=O)[C@H]1CC2(C[C@H]1C(=O)OC)OCC(C)(C)CO2.
What is the InChIKey of dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate?
The InChIKey is JFHJMSZGFHUSOF-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H22O6/c1-13(2)7-19-14(20-8-13)5-9(11(15)17-3)10(6-14)12(16)18-4/h9-10H,5-8H2,1-4H3/t9-,10+.
What are the key properties of dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate?
dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate has a molecular weight of 286.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate is sourced from PubChem (CID 14489533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).