2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol

C13H26O — CID 123429982

IUPAC2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
SMILESCCC1CC(C)CC(C(C)(C)C)C1O
InChIInChI=1S/C13H26O/c1-6-10-7-9(2)8-11(12(10)14)13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyQKRHYKYFBJIYJG-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds1

About 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol

2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol (PubChem CID 123429982) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
PubChem CID123429982
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
SMILESCCC1CC(C)CC(C(C)(C)C)C1O
InChIInChI=1S/C13H26O/c1-6-10-7-9(2)8-11(12(10)14)13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyQKRHYKYFBJIYJG-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-5-methylcyclohexane-1,2-diol
CID 118343814
trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
CID 7037526
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol
CID 90464783
(1S,2R,3S,5R)-3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol
CID 162589509
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
1,3-ditert-butyl-2,5-dimethylcyclohexane;ethane;methanethione
CID 144775424
3-tert-butyl-2-ethylcyclobutan-1-ol
CID 81414996
3-tert-butylcyclobutane-1,2-diol
CID 12791413
(4S)-2-ethyl-4-methylcyclopentan-1-amine
CID 163423682
1-chloro-2-ethyl-4-methylcyclopentane
CID 174663037
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol
CID 89075898

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol (CID 123429982) is 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol is CCC1CC(C)CC(C(C)(C)C)C1O.
What is the InChIKey of 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol?
The InChIKey is QKRHYKYFBJIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-10-7-9(2)8-11(12(10)14)13(3,4)5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol?
2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol is sourced from PubChem (CID 123429982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).