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

C26H48O3 — CID 140638061

IUPAC2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
SMILESCC1CC(CC2CC(C)C(O)C(CC3CC(C)C(O)CC3C)C2C)C(C)CC1O
InChIInChI=1S/C26H48O3/c1-14-10-24(27)16(3)7-20(14)12-22-9-18(5)26(29)23(19(22)6)13-21-8-17(4)25(28)11-15(21)2/h14-29H,7-13H2,1-6H3
InChIKeyLOOWEPDOKTWAEB-UHFFFAOYSA-N
MW408.67 g/mol
LogP5.12
Rot. Bonds4

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

2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol (PubChem CID 140638061) has the molecular formula C26H48O3 and a molecular weight of 408.67 g/mol. Its IUPAC name is 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
PubChem CID140638061
Molecular FormulaC26H48O3
Molecular Weight408.67 g/mol
Exact Mass408.36
IUPAC Name2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
SMILESCC1CC(CC2CC(C)C(O)C(CC3CC(C)C(O)CC3C)C2C)C(C)CC1O
InChIInChI=1S/C26H48O3/c1-14-10-24(27)16(3)7-20(14)12-22-9-18(5)26(29)23(19(22)6)13-21-8-17(4)25(28)11-15(21)2/h14-29H,7-13H2,1-6H3
InChIKeyLOOWEPDOKTWAEB-UHFFFAOYSA-N
XLogP5.12
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
4,6-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-2-methylcyclohexane-1,3-diol
CID 140638045
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
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane
CID 91468181
2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140524939
2,4,6-trimethyl-7-[(2-methylcyclopropyl)methyl]bicyclo[3.2.0]heptane
CID 90697583
2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol
CID 142051752
(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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol (CID 140638061) is 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol is CC1CC(CC2CC(C)C(O)C(CC3CC(C)C(O)CC3C)C2C)C(C)CC1O.
What is the InChIKey of 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The InChIKey is LOOWEPDOKTWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O3/c1-14-10-24(27)16(3)7-20(14)12-22-9-18(5)26(29)23(19(22)6)13-21-8-17(4)25(28)11-15(21)2/h14-29H,7-13H2,1-6H3.
What are the key properties of 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol has a molecular weight of 408.67 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 140638061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).