1-(4-tert-butylcyclohexyl)ethanol;ethane

C14H30O — CID 144559902

IUPAC1-(4-tert-butylcyclohexyl)ethanol;ethane
SMILESCC.CC(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O.C2H6/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-2/h9-11,13H,5-8H2,1-4H3;1-2H3
InChIKeySFNNZUDFGXXTSY-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds1

About 1-(4-tert-butylcyclohexyl)ethanol;ethane

1-(4-tert-butylcyclohexyl)ethanol;ethane (PubChem CID 144559902) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)ethanol;ethane.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)ethanol;ethane
PubChem CID144559902
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-(4-tert-butylcyclohexyl)ethanol;ethane
SMILESCC.CC(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O.C2H6/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-2/h9-11,13H,5-8H2,1-4H3;1-2H3
InChIKeySFNNZUDFGXXTSY-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
CID 115694405
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
2-(4-tert-butylcyclohexyl)-2-hydroxyacetonitrile
CID 104575709
4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
CID 104575475
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
CID 113428622
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol
CID 70433209
(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
CID 65401125
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
CID 57084421

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)ethanol;ethane?
The IUPAC name of 1-(4-tert-butylcyclohexyl)ethanol;ethane (CID 144559902) is 1-(4-tert-butylcyclohexyl)ethanol;ethane.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)ethanol;ethane?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)ethanol;ethane is CC.CC(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)ethanol;ethane?
The InChIKey is SFNNZUDFGXXTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C2H6/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-2/h9-11,13H,5-8H2,1-4H3;1-2H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)ethanol;ethane?
1-(4-tert-butylcyclohexyl)ethanol;ethane has a molecular weight of 214.39 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)ethanol;ethane is sourced from PubChem (CID 144559902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).