4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid

C14H26O2 — CID 130233531

IUPAC4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1(C(C)(C)C)CCC(C(=O)O)CC1
InChIInChI=1S/C14H26O2/c1-10(2)14(13(3,4)5)8-6-11(7-9-14)12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyBEXNYCNAMUZRFV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.95
Rot. Bonds2

About 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid

4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 130233531) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID130233531
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1(C(C)(C)C)CCC(C(=O)O)CC1
InChIInChI=1S/C14H26O2/c1-10(2)14(13(3,4)5)8-6-11(7-9-14)12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyBEXNYCNAMUZRFV-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
CID 130230324
4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 122679814
4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
1-tert-butyl-1-propan-2-ylcyclopropane;1,2-ditert-butylcyclobutane
CID 157384228
cis-(1R,3R)-3-(dibromomethyl)-3-propan-2-ylcyclopentane-1-carboxylic acid
CID 124578346
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide
CID 122679848
1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane
CID 159196394
4-tert-butyl-4-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130277185
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
4-(tert-butylsulfinylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106499925
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
chloromethane;cyclohexanecarboxylic acid
CID 160928112

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 130233531) is 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1(C(C)(C)C)CCC(C(=O)O)CC1.
What is the InChIKey of 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is BEXNYCNAMUZRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)14(13(3,4)5)8-6-11(7-9-14)12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 226.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 130233531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).