(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid

C10H14O6 — CID 139088601

IUPAC(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1OC2(CCCCC2)O[C@H]1C(=O)O
InChIInChI=1S/C10H14O6/c11-8(12)6-7(9(13)14)16-10(15-6)4-2-1-3-5-10/h6-7H,1-5H2,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyVYDDMTACDYIWEI-RNFRBKRXSA-N
MW230.22 g/mol
LogP0.60
Rot. Bonds2

About (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid

(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid (PubChem CID 139088601) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
PubChem CID139088601
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1OC2(CCCCC2)O[C@H]1C(=O)O
InChIInChI=1S/C10H14O6/c11-8(12)6-7(9(13)14)16-10(15-6)4-2-1-3-5-10/h6-7H,1-5H2,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyVYDDMTACDYIWEI-RNFRBKRXSA-N
XLogP0.60
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 604898
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 6712407
2,2-Dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 496155
1,4-Dioxaspiro[4.5]decane-2-acetic acid, 3-oxo-, (2S)-
CID 10262666
(4s,5s)-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10976572
(4r,5r)-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 13195892
(+)-2,3-Cyclohexylidene-L-erythruronic acid
CID 4441237
Dimethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
CID 245365
(4S,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 92860639
2-(Carboxymethyl)-2,4-(r),5-(r)-tricarboxy-1,3-dioxolane
CID 101917912
(R)-2-(3-Oxo-1,4-dioxaspiro[4.5]decan-2-yl)acetic acid
CID 131268700
(2R,3R)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic acid
CID 139088600

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
The IUPAC name of (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid (CID 139088601) is (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid is O=C(O)[C@@H]1OC2(CCCCC2)O[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
The InChIKey is VYDDMTACDYIWEI-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H14O6/c11-8(12)6-7(9(13)14)16-10(15-6)4-2-1-3-5-10/h6-7H,1-5H2,(H,11,12)(H,13,14)/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid is sourced from PubChem (CID 139088601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).