dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate

C12H18O6 — CID 139085135

IUPACdimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
SMILESCOC(=O)[C@H]1CCC[C@H](C(=O)OC)C12OCCO2
InChIInChI=1S/C12H18O6/c1-15-10(13)8-4-3-5-9(11(14)16-2)12(8)17-6-7-18-12/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyXTICOCZWKUIYQI-RKDXNWHRSA-N
MW258.27 g/mol
LogP0.49
Rot. Bonds2

About dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate

dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate (PubChem CID 139085135) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
PubChem CID139085135
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Namedimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
SMILESCOC(=O)[C@H]1CCC[C@H](C(=O)OC)C12OCCO2
InChIInChI=1S/C12H18O6/c1-15-10(13)8-4-3-5-9(11(14)16-2)12(8)17-6-7-18-12/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyXTICOCZWKUIYQI-RKDXNWHRSA-N
XLogP0.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-methoxyoxane-2,3-dicarboxylate
CID 156770328
methyl (4R,5R,12R)-4-acetyl-7,10-dioxadispiro[4.0.46.25]dodecane-12-carboxylate
CID 101093489
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920090
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 163458835
methyl 2,2,4-trimethylcyclohex-3-ene-1-carboxylate
CID 16752843
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910

Frequently Asked Questions

What is the IUPAC name of dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate?
The IUPAC name of dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate (CID 139085135) is dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate.
What is the SMILES notation for dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate?
The canonical SMILES for dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate is COC(=O)[C@H]1CCC[C@H](C(=O)OC)C12OCCO2.
What is the InChIKey of dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate?
The InChIKey is XTICOCZWKUIYQI-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H18O6/c1-15-10(13)8-4-3-5-9(11(14)16-2)12(8)17-6-7-18-12/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate?
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate has a molecular weight of 258.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate is sourced from PubChem (CID 139085135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).