ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate

C11H18O6 — CID 11299578

IUPACethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](O)[C@H](O)CCC12OCCO2
InChIInChI=1S/C11H18O6/c1-2-15-10(14)8-9(13)7(12)3-4-11(8)16-5-6-17-11/h7-9,12-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyYDDUNVOHPOHMTN-IWSPIJDZSA-N
MW246.26 g/mol
LogP-0.58
Rot. Bonds2

About ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate

ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 11299578) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID11299578
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Nameethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](O)[C@H](O)CCC12OCCO2
InChIInChI=1S/C11H18O6/c1-2-15-10(14)8-9(13)7(12)3-4-11(8)16-5-6-17-11/h7-9,12-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyYDDUNVOHPOHMTN-IWSPIJDZSA-N
XLogP-0.58
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl (3aR,5R,7R,7aS)-hexahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
CID 165341664
Methyl 4,7-diacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylate
CID 322791
Dioxoosmium;methyl 2,5-diacetyloxy-3,4-dihydroxycyclohexane-1-carboxylate
CID 322792
Ethyl (3aR,5R,7R,7aS)-Hexahydro-5,7-dihydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylic Acid Ester
CID 10199085
ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 11458870
Methyl (3ar,5r,7r,7as)-5,7-dihydroxy-2.2-dimethylhexahydro-1,3-benzodioxole-5-carboxylate
CID 11680350
methyl (3aR,5R,7R,7aS)-2,2-diethyl-5,7-dihydroxy-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate
CID 11011185
Fsyntadrqijfgw-qgovlljgsa-
CID 21726205
methyl (1S,2R,4R)-1-(hydroxymethyl)-3,3-dimethoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 101854958
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
CID 134855154
2-trimethylsilylethoxymethyl (1S,2S,3S,4S,5R)-2-acetyloxy-3,4,5-trihydroxycyclohexane-1-carboxylate
CID 134930480
methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
CID 134971265

Frequently Asked Questions

What is the IUPAC name of ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 11299578) is ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate is CCOC(=O)[C@H]1[C@H](O)[C@H](O)CCC12OCCO2.
What is the InChIKey of ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is YDDUNVOHPOHMTN-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H18O6/c1-2-15-10(14)8-9(13)7(12)3-4-11(8)16-5-6-17-11/h7-9,12-13H,2-6H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 246.26 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 11299578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).