2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid

C13H22O3 — CID 114533838

IUPAC2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
SMILESCC1CCCC(C2(C(=O)O)CCOC2C)C1
InChIInChI=1S/C13H22O3/c1-9-4-3-5-11(8-9)13(12(14)15)6-7-16-10(13)2/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyBOIZNYOEOSZSGQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.69
Rot. Bonds2

About 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid

2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid (PubChem CID 114533838) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
PubChem CID114533838
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
SMILESCC1CCCC(C2(C(=O)O)CCOC2C)C1
InChIInChI=1S/C13H22O3/c1-9-4-3-5-11(8-9)13(12(14)15)6-7-16-10(13)2/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyBOIZNYOEOSZSGQ-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
3-(2-hydroxycycloheptyl)-2-methyloxolane-3-carboxylic acid
CID 114533925
4-tert-butyl-1-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 79425363
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
CID 114621870
3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
CID 55242439
3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
CID 175398948
(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
CID 116579553
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
CID 130992604
1-(3-methylcyclohexyl)oxycyclopentane-1-carboxylic acid
CID 114988328
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid (CID 114533838) is 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid is CC1CCCC(C2(C(=O)O)CCOC2C)C1.
What is the InChIKey of 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid?
The InChIKey is BOIZNYOEOSZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-9-4-3-5-11(8-9)13(12(14)15)6-7-16-10(13)2/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid?
2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 114533838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).