3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol

C22H44O — CID 123872385

IUPAC3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol
SMILESCCCC(C)(C(C)CC1(C)CC(CC)CC(C)(O)C1)C(C)(C)C
InChIInChI=1S/C22H44O/c1-10-12-22(9,19(4,5)6)17(3)13-20(7)14-18(11-2)15-21(8,23)16-20/h17-18,23H,10-16H2,1-9H3
InChIKeySJYFAVCSIRFVOB-UHFFFAOYSA-N
MW324.59 g/mol
LogP6.83
Rot. Bonds6

About 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol

3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol (PubChem CID 123872385) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol
PubChem CID123872385
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol
SMILESCCCC(C)(C(C)CC1(C)CC(CC)CC(C)(O)C1)C(C)(C)C
InChIInChI=1S/C22H44O/c1-10-12-22(9,19(4,5)6)17(3)13-20(7)14-18(11-2)15-21(8,23)16-20/h17-18,23H,10-16H2,1-9H3
InChIKeySJYFAVCSIRFVOB-UHFFFAOYSA-N
XLogP6.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-(2-methylpropyl)cyclohexanol
CID 22476645
2-(4,4-Dimethylcyclohexyl)propan-2-ol
CID 2825220
1,3,3,5,5-Pentamethylcyclohexanol
CID 142288
1-Ethyl-3-methylcyclohexan-1-ol
CID 2750694
Dihydrohinesol
CID 44559306
[1,1'-Bicyclohexyl]-1,1'-diol, 3,3,3',3',5,5,5',5'-octamethyl-
CID 373778
2-(3-Methylcyclohexyl)propan-2-ol
CID 521859
6-(2,3-Dimethylbutan-2-yl)undecan-6-ol
CID 85821813
3,7-dimethyl-9-[(1S,6S)-2,2,6-trimethylcyclohexyl]nonane-1,3-diol
CID 21774436
1-Tert-butyl-2,2,6-trimethylcyclohexan-1-ol
CID 13572306
Tetramethylhexadecanol
CID 19796860
3-t-Butyl-1-ethynylcyclohexanol
CID 21093387

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol?
The IUPAC name of 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol (CID 123872385) is 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol is CCCC(C)(C(C)CC1(C)CC(CC)CC(C)(O)C1)C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol?
The InChIKey is SJYFAVCSIRFVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-10-12-22(9,19(4,5)6)17(3)13-20(7)14-18(11-2)15-21(8,23)16-20/h17-18,23H,10-16H2,1-9H3.
What are the key properties of 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol?
3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol has a molecular weight of 324.59 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2,3-dimethylhexyl)-5-ethyl-1,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 123872385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).