3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol

C12H24O — CID 142000591

IUPAC3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
SMILESCCC1C(C)(C)CCC(O)C1(C)C
InChIInChI=1S/C12H24O/c1-6-9-11(2,3)8-7-10(13)12(9,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyXINIZWFPJSFGSC-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds1

About 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol

3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol (PubChem CID 142000591) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
PubChem CID142000591
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
SMILESCCC1C(C)(C)CCC(O)C1(C)C
InChIInChI=1S/C12H24O/c1-6-9-11(2,3)8-7-10(13)12(9,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyXINIZWFPJSFGSC-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2,2,3,4-tetramethylcyclohexan-1-ol
CID 123306354
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587
2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
CID 144667532
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,5,5,6-tetramethylcyclohexane-1,2-diol
CID 130145073
2-methyl-2-propylcyclobutan-1-ol
CID 89040523
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
(3R,3aR,5S,6R,7R)-7-ethyl-3,3a,6,8,8-pentamethyl-2,3,4,5,7,8a-hexahydro-1H-azulene-5,6-diol
CID 174086615
2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol
CID 143499185
8,8,9-trimethylspiro[3.5]nonan-7-ol
CID 123702304
5,6-bis(hydroxymethyl)-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 162816441

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol?
The IUPAC name of 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol (CID 142000591) is 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol?
The canonical SMILES for 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol is CCC1C(C)(C)CCC(O)C1(C)C.
What is the InChIKey of 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol?
The InChIKey is XINIZWFPJSFGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-9-11(2,3)8-7-10(13)12(9,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol?
3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 142000591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).