(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid

C10H16O5 — CID 7054377

IUPAC(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid
SMILESCC(C)[C@@]1(C(=O)O)CC[C@](C)(C(=O)O)O1
InChIInChI=1S/C10H16O5/c1-6(2)10(8(13)14)5-4-9(3,15-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t9-,10-/m1/s1
InChIKeyLZIXTQVXBKQFGI-NXEZZACHSA-N
MW216.23 g/mol
LogP1.12
Rot. Bonds3

About (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid

(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid (PubChem CID 7054377) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid
PubChem CID7054377
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid
SMILESCC(C)[C@@]1(C(=O)O)CC[C@](C)(C(=O)O)O1
InChIInChI=1S/C10H16O5/c1-6(2)10(8(13)14)5-4-9(3,15-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t9-,10-/m1/s1
InChIKeyLZIXTQVXBKQFGI-NXEZZACHSA-N
XLogP1.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid
CID 130585368
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
2-methyl-7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonane-2-carboxylic acid
CID 130585385
2,7-dimethyl-1,8-dioxaspiro[4.5]decane-2-carboxylic acid
CID 130585344
3-hydroxy-1,2',3,6-tetramethyl-2,5-dioxospiro[7-oxabicyclo[4.1.0]heptane-4,5'-oxolane]-2'-carboxylic acid
CID 46219982
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid
CID 130585371
4,5-dihydroxy-2-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 158770654
methane;5-methyl-2,2-dioxooxathiolane-5-carboxylic acid
CID 87372551
(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
CID 121475933
(4R,5R)-4,5-dichloro-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 54002289
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid?
The IUPAC name of (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid (CID 7054377) is (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid.
What is the SMILES notation for (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid?
The canonical SMILES for (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid is CC(C)[C@@]1(C(=O)O)CC[C@](C)(C(=O)O)O1.
What is the InChIKey of (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid?
The InChIKey is LZIXTQVXBKQFGI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(2)10(8(13)14)5-4-9(3,15-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid?
(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid has a molecular weight of 216.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid is sourced from PubChem (CID 7054377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).