4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid

C17H30O3 — CID 65161890

IUPAC4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CCC(CCC2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C17H30O3/c1-16(2,3)13-6-9-17(10-7-13,15(18)19)11-8-14-5-4-12-20-14/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyJPHJXCPCOCURMN-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.25
Rot. Bonds4

About 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid

4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 65161890) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
PubChem CID65161890
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CCC(CCC2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C17H30O3/c1-16(2,3)13-6-9-17(10-7-13,15(18)19)11-8-14-5-4-12-20-14/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyJPHJXCPCOCURMN-UHFFFAOYSA-N
XLogP4.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79424929
3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 65409462
2-[[4-tert-butyl-1-(chloromethyl)cyclohexyl]methyl]oxolane
CID 66033798
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
4-tert-butyl-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 103975916
4-tert-butyl-1-prop-2-ynylcyclohexane-1-carboxylic acid
CID 79421701
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158713
4-tert-butyl-1-(2,2-difluoroethyl)cyclohexane-1-carboxylic acid
CID 79425033
1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65162258

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid (CID 65161890) is 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid is CC(C)(C)C1CCC(CCC2CCCO2)(C(=O)O)CC1.
What is the InChIKey of 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is JPHJXCPCOCURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-16(2,3)13-6-9-17(10-7-13,15(18)19)11-8-14-5-4-12-20-14/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid?
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65161890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).