2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid

C11H18O4 — CID 114533651

IUPAC2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
SMILESCC1OCCC1(CC1CCCO1)C(=O)O
InChIInChI=1S/C11H18O4/c1-8-11(10(12)13,4-6-14-8)7-9-3-2-5-15-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyGRPDGKMKIKSTHJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.44
Rot. Bonds3

About 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid

2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid (PubChem CID 114533651) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
PubChem CID114533651
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
SMILESCC1OCCC1(CC1CCCO1)C(=O)O
InChIInChI=1S/C11H18O4/c1-8-11(10(12)13,4-6-14-8)7-9-3-2-5-15-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyGRPDGKMKIKSTHJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731
3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
CID 114533650
3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
CID 114533764
2-methyl-3-(3-methylbutyl)oxolane-3-carboxylic acid
CID 114533698
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
CID 103136129
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxylic acid
CID 114533919
3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolane-3-carboxylic acid
CID 114533775
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid (CID 114533651) is 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid is CC1OCCC1(CC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid?
The InChIKey is GRPDGKMKIKSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-8-11(10(12)13,4-6-14-8)7-9-3-2-5-15-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid?
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 114533651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).