3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid

C10H18O5 — CID 103377770

IUPAC3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid
SMILESCC(O)C(C)OC1(C(=O)O)CCOC1C
InChIInChI=1S/C10H18O5/c1-6(11)7(2)15-10(9(12)13)4-5-14-8(10)3/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyAWZQEDKBVKYBMN-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.40
Rot. Bonds4

About 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid

3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid (PubChem CID 103377770) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid
PubChem CID103377770
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid
SMILESCC(O)C(C)OC1(C(=O)O)CCOC1C
InChIInChI=1S/C10H18O5/c1-6(11)7(2)15-10(9(12)13)4-5-14-8(10)3/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyAWZQEDKBVKYBMN-UHFFFAOYSA-N
XLogP0.40
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxybutan-2-yloxy)-2-methyloxane-4-carboxylic acid
CID 103377725
3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid
CID 103377964
2-(3-hydroxybutan-2-yloxy)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103377905
1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one
CID 83225931
2-methyl-3-(3-methylbutyl)oxolane-3-carboxylic acid
CID 114533698
1-(3-hydroxybutan-2-yloxy)cycloheptane-1-carboxylic acid
CID 103377832
1-(3-hydroxybutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103377699
2-ethyl-4-(3-hydroxybutan-2-yloxy)oxane-4-carbonitrile
CID 103376147
1-(3-hydroxybutan-2-yloxy)-4-methoxycyclohexane-1-carboxylic acid
CID 103377847
3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
CID 114533650
tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate
CID 103581441

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid (CID 103377770) is 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid is CC(O)C(C)OC1(C(=O)O)CCOC1C.
What is the InChIKey of 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid?
The InChIKey is AWZQEDKBVKYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(11)7(2)15-10(9(12)13)4-5-14-8(10)3/h6-8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid?
3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutan-2-yloxy)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 103377770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).