2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid

C10H18O3 — CID 130585371

IUPAC2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid
SMILESCC(C)CC1CCC(C)(C(=O)O)O1
InChIInChI=1S/C10H18O3/c1-7(2)6-8-4-5-10(3,13-8)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyOMBDQMPMFCWHSS-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid

2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid (PubChem CID 130585371) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid
PubChem CID130585371
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid
SMILESCC(C)CC1CCC(C)(C(=O)O)O1
InChIInChI=1S/C10H18O3/c1-7(2)6-8-4-5-10(3,13-8)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyOMBDQMPMFCWHSS-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid?
The IUPAC name of 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid (CID 130585371) is 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid is CC(C)CC1CCC(C)(C(=O)O)O1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid?
The InChIKey is OMBDQMPMFCWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)6-8-4-5-10(3,13-8)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid?
2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 130585371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).