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

C33H60O4 — CID 140524947

IUPAC2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol
SMILESCC1CC(CC2CC(CC3CC(C)C(O)C(CC4CC(C)C(O)CC4C)C3)CC(C)C2O)C(C)CC1O
InChIInChI=1S/C33H60O4/c1-18-11-30(34)20(3)9-26(18)16-28-14-24(7-22(5)32(28)36)13-25-8-23(6)33(37)29(15-25)17-27-10-21(4)31(35)12-19(27)2/h18-37H,7-17H2,1-6H3
InChIKeyAAJZHOFJMGWUOS-UHFFFAOYSA-N
MW520.84 g/mol
LogP6.29
Rot. Bonds6

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

2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol (PubChem CID 140524947) has the molecular formula C33H60O4 and a molecular weight of 520.84 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol
PubChem CID140524947
Molecular FormulaC33H60O4
Molecular Weight520.84 g/mol
Exact Mass520.45
IUPAC Name2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol
SMILESCC1CC(CC2CC(CC3CC(C)C(O)C(CC4CC(C)C(O)CC4C)C3)CC(C)C2O)C(C)CC1O
InChIInChI=1S/C33H60O4/c1-18-11-30(34)20(3)9-26(18)16-28-14-24(7-22(5)32(28)36)13-25-8-23(6)33(37)29(15-25)17-27-10-21(4)31(35)12-19(27)2/h18-37H,7-17H2,1-6H3
InChIKeyAAJZHOFJMGWUOS-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 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol with MolForge

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Related Compounds

4,6-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-2-methylcyclohexane-1,3-diol
CID 140638045
2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140638061
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
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
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
CID 122468641
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
CID 14158486
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol
CID 90464783
(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol
CID 130948100

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol?
The IUPAC name of 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) is 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol is CC1CC(CC2CC(CC3CC(C)C(O)C(CC4CC(C)C(O)CC4C)C3)CC(C)C2O)C(C)CC1O.
What is the InChIKey of 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol?
The InChIKey is AAJZHOFJMGWUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O4/c1-18-11-30(34)20(3)9-26(18)16-28-14-24(7-22(5)32(28)36)13-25-8-23(6)33(37)29(15-25)17-27-10-21(4)31(35)12-19(27)2/h18-37H,7-17H2,1-6H3.
What are the key properties of 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol?
2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-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 2-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-5-methylcyclohexyl]methyl]-6-methylcyclohexan-1-ol is sourced from PubChem (CID 140524947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).