2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol

C25H46O3 — CID 86318673

IUPAC2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1C1([C@@H]2C[C@H](C)CC[C@H]2C(C)C)OC[C@H](CCO)O1
InChIInChI=1S/C25H46O3/c1-16(2)21-9-7-18(5)13-23(21)25(27-15-20(28-25)11-12-26)24-14-19(6)8-10-22(24)17(3)4/h16-24,26H,7-15H2,1-6H3/t18-,19-,20+,21-,22+,23-,24-,25?/m1/s1
InChIKeyLMHCQSYOFZFRMI-NKZQBSTRSA-N
MW394.64 g/mol
LogP5.90
Rot. Bonds6

About 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol

2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol (PubChem CID 86318673) has the molecular formula C25H46O3 and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol
PubChem CID86318673
Molecular FormulaC25H46O3
Molecular Weight394.64 g/mol
Exact Mass394.34
IUPAC Name2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1C1([C@@H]2C[C@H](C)CC[C@H]2C(C)C)OC[C@H](CCO)O1
InChIInChI=1S/C25H46O3/c1-16(2)21-9-7-18(5)13-23(21)25(27-15-20(28-25)11-12-26)24-14-19(6)8-10-22(24)17(3)4/h16-24,26H,7-15H2,1-6H3/t18-,19-,20+,21-,22+,23-,24-,25?/m1/s1
InChIKeyLMHCQSYOFZFRMI-NKZQBSTRSA-N
XLogP5.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol 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

2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylic acid
CID 66902539
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
CID 173039410
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol
CID 10923156
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
ethane-1,2-diol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate
CID 174452355
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
3-(2',6',10',28'-tetramethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,25'-tetracyclo[16.12.0.05,14.022,27]triacontane]-4-yl)propan-1-ol
CID 70807827
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
CID 141258734
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol (CID 86318673) is 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol is CC(C)[C@H]1CC[C@@H](C)C[C@H]1C1([C@@H]2C[C@H](C)CC[C@H]2C(C)C)OC[C@H](CCO)O1.
What is the InChIKey of 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol?
The InChIKey is LMHCQSYOFZFRMI-NKZQBSTRSA-N. The full InChI is InChI=1S/C25H46O3/c1-16(2)21-9-7-18(5)13-23(21)25(27-15-20(28-25)11-12-26)24-14-19(6)8-10-22(24)17(3)4/h16-24,26H,7-15H2,1-6H3/t18-,19-,20+,21-,22+,23-,24-,25?/m1/s1.
What are the key properties of 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol?
2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol has a molecular weight of 394.64 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 86318673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).