2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid

C14H22O4 — CID 103136129

IUPAC2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CCC(CC2(C(=O)O)CCOC2C2CC2)O1
InChIInChI=1S/C14H22O4/c1-9-2-5-11(18-9)8-14(13(15)16)6-7-17-12(14)10-3-4-10/h9-12H,2-8H2,1H3,(H,15,16)
InChIKeyZJYCGFZKVXSNIT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.21
Rot. Bonds4

About 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid

2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 103136129) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
PubChem CID103136129
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CCC(CC2(C(=O)O)CCOC2C2CC2)O1
InChIInChI=1S/C14H22O4/c1-9-2-5-11(18-9)8-14(13(15)16)6-7-17-12(14)10-3-4-10/h9-12H,2-8H2,1H3,(H,15,16)
InChIKeyZJYCGFZKVXSNIT-UHFFFAOYSA-N
XLogP2.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930065
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214
3-(bromomethyl)-2-methyl-3-[(5-methyloxolan-2-yl)methyl]oxolane
CID 103142753
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
CID 104509322
2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 104509235
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid (CID 103136129) is 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid is CC1CCC(CC2(C(=O)O)CCOC2C2CC2)O1.
What is the InChIKey of 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is ZJYCGFZKVXSNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-9-2-5-11(18-9)8-14(13(15)16)6-7-17-12(14)10-3-4-10/h9-12H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid?
2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 103136129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).