2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid

C14H24O4 — CID 114621870

IUPAC2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
SMILESCC1OCCC1(C(=O)O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H24O4/c1-9-14(11(15)16,6-7-17-9)10-8-12(2,3)18-13(10,4)5/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyXICBYGWTURIOGS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid

2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid (PubChem CID 114621870) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
PubChem CID114621870
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
SMILESCC1OCCC1(C(=O)O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H24O4/c1-9-14(11(15)16,6-7-17-9)10-8-12(2,3)18-13(10,4)5/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyXICBYGWTURIOGS-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol
CID 114622182
3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
CID 114533838
3-(2-hydroxycycloheptyl)-2-methyloxolane-3-carboxylic acid
CID 114533925
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid
CID 114624336
2,7-dimethyl-1,8-dioxaspiro[4.5]decane-2-carboxylic acid
CID 130585344
3,3,5,5-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114622197
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol
CID 114622120
4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine
CID 114622285
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 79933505
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 114622240
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114621893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid?
The IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid (CID 114621870) is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid is CC1OCCC1(C(=O)O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid?
The InChIKey is XICBYGWTURIOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-9-14(11(15)16,6-7-17-9)10-8-12(2,3)18-13(10,4)5/h9-10H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid?
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 114621870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).