4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol

C16H32O — CID 82930226

IUPAC4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
SMILESCCC(CC)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H32O/c1-6-12(7-2)10-13-11-14(16(3,4)5)8-9-15(13)17/h12-15,17H,6-11H2,1-5H3
InChIKeyWZKPHRVBKMXYAD-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.64
Rot. Bonds4

About 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol

4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol (PubChem CID 82930226) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
PubChem CID82930226
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
SMILESCCC(CC)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H32O/c1-6-12(7-2)10-13-11-14(16(3,4)5)8-9-15(13)17/h12-15,17H,6-11H2,1-5H3
InChIKeyWZKPHRVBKMXYAD-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol (CID 82930226) is 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol is CCC(CC)CC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol?
The InChIKey is WZKPHRVBKMXYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-6-12(7-2)10-13-11-14(16(3,4)5)8-9-15(13)17/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol?
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 82930226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).