4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol

C33H60O4 — CID 140524923

IUPAC4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
SMILESCC1CC(CC2C(C)C(CC3CC(C)C(O)C(CC4CCC(O)C(C)C4)C3C)CC(C)C2O)CCC1O
InChIInChI=1S/C33H60O4/c1-18-11-24(7-9-30(18)34)15-28-22(5)26(13-20(3)32(28)36)17-27-14-21(4)33(37)29(23(27)6)16-25-8-10-31(35)19(2)12-25/h18-37H,7-17H2,1-6H3
InChIKeyAMAKSEAJAVEYCL-UHFFFAOYSA-N
MW520.84 g/mol
LogP6.29
Rot. Bonds6

About 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol

4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol (PubChem CID 140524923) has the molecular formula C33H60O4 and a molecular weight of 520.84 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
PubChem CID140524923
Molecular FormulaC33H60O4
Molecular Weight520.84 g/mol
Exact Mass520.45
IUPAC Name4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
SMILESCC1CC(CC2C(C)C(CC3CC(C)C(O)C(CC4CCC(O)C(C)C4)C3C)CC(C)C2O)CCC1O
InChIInChI=1S/C33H60O4/c1-18-11-24(7-9-30(18)34)15-28-22(5)26(13-20(3)32(28)36)17-27-14-21(4)33(37)29(23(27)6)16-25-8-10-31(35)19(2)12-25/h18-37H,7-17H2,1-6H3
InChIKeyAMAKSEAJAVEYCL-UHFFFAOYSA-N
XLogP6.29
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.84
LogP ≤ 56.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140638061
2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol
CID 140524947
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 153331716
4,6-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-2-methylcyclohexane-1,3-diol
CID 140638045
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
CID 145098680
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The IUPAC name of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol (CID 140524923) is 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol is CC1CC(CC2C(C)C(CC3CC(C)C(O)C(CC4CCC(O)C(C)C4)C3C)CC(C)C2O)CCC1O.
What is the InChIKey of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The InChIKey is AMAKSEAJAVEYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O4/c1-18-11-24(7-9-30(18)34)15-28-22(5)26(13-20(3)32(28)36)17-27-14-21(4)33(37)29(23(27)6)16-25-8-10-31(35)19(2)12-25/h18-37H,7-17H2,1-6H3.
What are the key properties of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol has a molecular weight of 520.84 g/mol, XLogP of 6.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-[(4-hydroxy-3-methylcyclohexyl)methyl]-2,5-dimethylcyclohexyl]methyl]-2-[(4-hydroxy-3-methylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 140524923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).