3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol

C12H24O — CID 175708400

IUPAC3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCC(C)(C)C1C(C)(C)C(O)C1(C)C
InChIInChI=1S/C12H24O/c1-10(2,3)8-11(4,5)9(13)12(8,6)7/h8-9,13H,1-7H3
InChIKeyULJAOVXRDMZENC-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds

About 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol

3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol (PubChem CID 175708400) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol
PubChem CID175708400
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCC(C)(C)C1C(C)(C)C(O)C1(C)C
InChIInChI=1S/C12H24O/c1-10(2,3)8-11(4,5)9(13)12(8,6)7/h8-9,13H,1-7H3
InChIKeyULJAOVXRDMZENC-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol
CID 122495042
3-(dimethylamino)-2,2,4,4-tetramethylcyclobutan-1-ol
CID 26123
ethane;3,3,5,5-tetramethyldithiolan-4-ol
CID 164565295
3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane
CID 123195790
actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol
CID 20705986
zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)
CID 550367
2,2-dimethylcyclohepta-4,6-diene-1,3-diol
CID 130145484
4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
CID 20821698
cis-(1S,3R)-3-tert-butyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202726
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
CID 167145522
(2R,3S,5S,6S)-3,6-ditert-butyl-2-methyl-5-(trifluoromethyl)-1,4-dioxane-2,5-diol
CID 71037473
3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol
CID 2310985

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol?
The IUPAC name of 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol (CID 175708400) is 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol.
What is the SMILES notation for 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol?
The canonical SMILES for 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol is CC(C)(C)C1C(C)(C)C(O)C1(C)C.
What is the InChIKey of 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol?
The InChIKey is ULJAOVXRDMZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2,3)8-11(4,5)9(13)12(8,6)7/h8-9,13H,1-7H3.
What are the key properties of 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol?
3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol is sourced from PubChem (CID 175708400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).