3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid

C15H26O3 — CID 65395527

IUPAC3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(CCCC2CCCO2)(C(=O)O)C1
InChIInChI=1S/C15H26O3/c1-12-5-2-8-15(11-12,14(16)17)9-3-6-13-7-4-10-18-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyLILJUNKKLFYIBS-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds5

About 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid

3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid (PubChem CID 65395527) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
PubChem CID65395527
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(CCCC2CCCO2)(C(=O)O)C1
InChIInChI=1S/C15H26O3/c1-12-5-2-8-15(11-12,14(16)17)9-3-6-13-7-4-10-18-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyLILJUNKKLFYIBS-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 65409462
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745
1-(2-cyclohexylethyl)-3-methylcyclohexane-1-carboxylic acid
CID 114193199
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
1-(3,3-dimethylbutyl)-3-methylcyclohexane-1-carboxylic acid
CID 65393866
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
CID 79074672
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
CID 103184870
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 65161890
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
CID 116755036
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid (CID 65395527) is 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid is CC1CCCC(CCCC2CCCO2)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid?
The InChIKey is LILJUNKKLFYIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12-5-2-8-15(11-12,14(16)17)9-3-6-13-7-4-10-18-13/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid?
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65395527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).