4-tert-Butylcyclohexylmethanol

C11H22O — CID 82759

IUPAC(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(CC1)CO
InChIInChI=1S/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
InChIKeyGGWBQKOXLMPNMS-UHFFFAOYSA-N
MW170.29 g/mol
LogP3.40
Rot. Bonds2

About 4-tert-Butylcyclohexylmethanol

4-tert-Butylcyclohexylmethanol (PubChem CID 82759) has the molecular formula C11H22O and a molecular weight of 170.29 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name4-tert-Butylcyclohexylmethanol
PubChem CID82759
Molecular FormulaC11H22O
Molecular Weight170.29 g/mol
Exact Mass170.17
IUPAC Name(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(CC1)CO
InChIInChI=1S/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
InChIKeyGGWBQKOXLMPNMS-UHFFFAOYSA-N
XLogP3.40
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity126

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Menthol
CID 1254
(-)-Menthol
CID 16666
(+)-Menthol
CID 165675
Neoisomenthol
CID 19244
Isomenthol, (+)-
CID 45056
(-)-Neomenthol
CID 6566020
(+)-Neomenthol
CID 439263
4-Methylcyclohexanemethanol
CID 118193
(+-)-Neoisomenthol
CID 1715097
Isomenthol
CID 6432468
4-tert-Butylcyclohexanol
CID 7391
Myrtanol
CID 521314

Frequently Asked Questions

What is the IUPAC name of 4-tert-Butylcyclohexylmethanol?
The IUPAC name of 4-tert-Butylcyclohexylmethanol (CID 82759) is (4-tert-butylcyclohexyl)methanol.
What is the SMILES notation for 4-tert-Butylcyclohexylmethanol?
The canonical SMILES for 4-tert-Butylcyclohexylmethanol is CC(C)(C)C1CCC(CC1)CO.
What is the InChIKey of 4-tert-Butylcyclohexylmethanol?
The InChIKey is GGWBQKOXLMPNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-tert-Butylcyclohexylmethanol?
4-tert-Butylcyclohexylmethanol has a molecular weight of 170.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-Butylcyclohexylmethanol is sourced from PubChem (CID 82759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).