5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol

C17H28O — CID 114211453

IUPAC5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol
SMILESCc1cc(C)c(CC(O)CCC(C)(C)C)c(C)c1
InChIInChI=1S/C17H28O/c1-12-9-13(2)16(14(3)10-12)11-15(18)7-8-17(4,5)6/h9-10,15,18H,7-8,11H2,1-6H3
InChIKeyXALBOCLCWURVFE-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.34
Rot. Bonds4

About 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol

5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol (PubChem CID 114211453) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol
PubChem CID114211453
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol
SMILESCc1cc(C)c(CC(O)CCC(C)(C)C)c(C)c1
InChIInChI=1S/C17H28O/c1-12-9-13(2)16(14(3)10-12)11-15(18)7-8-17(4,5)6/h9-10,15,18H,7-8,11H2,1-6H3
InChIKeyXALBOCLCWURVFE-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 63899352
1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
CID 60797367
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79086786
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(4-tert-butyl-2,6-dimethylphenyl)hex-5-yn-2-ol
CID 63657471
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol
CID 151069189
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol?
The IUPAC name of 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol (CID 114211453) is 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol.
What is the SMILES notation for 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol?
The canonical SMILES for 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol is Cc1cc(C)c(CC(O)CCC(C)(C)C)c(C)c1.
What is the InChIKey of 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol?
The InChIKey is XALBOCLCWURVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-12-9-13(2)16(14(3)10-12)11-15(18)7-8-17(4,5)6/h9-10,15,18H,7-8,11H2,1-6H3.
What are the key properties of 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol?
5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol has a molecular weight of 248.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol is sourced from PubChem (CID 114211453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).