4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol

C20H40O — CID 121286721

IUPAC4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol
SMILESCC(C)(C)C1(C)C(C)(C)C(C)(C)C(C)(O)C(C)(C)C1(C)C
InChIInChI=1S/C20H40O/c1-14(2,3)19(12)15(4,5)17(8,9)20(13,21)18(10,11)16(19,6)7/h21H,1-13H3
InChIKeyXKEDGPUSIPLWST-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.91
Rot. Bonds

About 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol

4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol (PubChem CID 121286721) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol
PubChem CID121286721
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol
SMILESCC(C)(C)C1(C)C(C)(C)C(C)(C)C(C)(O)C(C)(C)C1(C)C
InChIInChI=1S/C20H40O/c1-14(2,3)19(12)15(4,5)17(8,9)20(13,21)18(10,11)16(19,6)7/h21H,1-13H3
InChIKeyXKEDGPUSIPLWST-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane
CID 101147519
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064
3-tert-butyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 76587625
2,2-dimethyladamantane-1,3-diol
CID 141116572
4-tert-butyl-1,4-dimethylcyclohexan-1-ol
CID 167288502
1,2,3-trimethyladamantan-2-ol
CID 139814607
2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol
CID 90739279
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 66752720
6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 23160401
3-tert-butyl-1-methylcyclohexan-1-ol
CID 58395164
cis-tert-butyl (1S,2R)-2-hydroxy-2,3,3,4,4,5,5-heptamethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 58132182

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol (CID 121286721) is 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol is CC(C)(C)C1(C)C(C)(C)C(C)(C)C(C)(O)C(C)(C)C1(C)C.
What is the InChIKey of 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol?
The InChIKey is XKEDGPUSIPLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-14(2,3)19(12)15(4,5)17(8,9)20(13,21)18(10,11)16(19,6)7/h21H,1-13H3.
What are the key properties of 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol?
4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol has a molecular weight of 296.54 g/mol, XLogP of 5.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol is sourced from PubChem (CID 121286721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).