1-butyl-4-tert-butylcyclohexan-1-ol

C14H28O — CID 593228

IUPAC1-butyl-4-tert-butylcyclohexan-1-ol
SMILESCCCCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-6-9-14(15)10-7-12(8-11-14)13(2,3)4/h12,15H,5-11H2,1-4H3
InChIKeyXHIIVFQEMVWTHC-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.14
Rot. Bonds3

About 1-butyl-4-tert-butylcyclohexan-1-ol

1-butyl-4-tert-butylcyclohexan-1-ol (PubChem CID 593228) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-butyl-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name1-butyl-4-tert-butylcyclohexan-1-ol
PubChem CID593228
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-butyl-4-tert-butylcyclohexan-1-ol
SMILESCCCCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-6-9-14(15)10-7-12(8-11-14)13(2,3)4/h12,15H,5-11H2,1-4H3
InChIKeyXHIIVFQEMVWTHC-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 1-butyl-4-tert-butylcyclohexan-1-ol (CID 593228) is 1-butyl-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 1-butyl-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 1-butyl-4-tert-butylcyclohexan-1-ol is CCCCC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-butyl-4-tert-butylcyclohexan-1-ol?
The InChIKey is XHIIVFQEMVWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-9-14(15)10-7-12(8-11-14)13(2,3)4/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-butyl-4-tert-butylcyclohexan-1-ol?
1-butyl-4-tert-butylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 593228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).