trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol

C10H20O2 — CID 54292427

IUPACtrans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
SMILESCC(C)[C@@H]1CCC(C)(O)[C@H](O)C1
InChIInChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9,11-12H,4-6H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyRYLFWQILVNWPEL-MGRQHWMJSA-N
MW172.27 g/mol
LogP1.55
Rot. Bonds1

About trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol

trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol (PubChem CID 54292427) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
PubChem CID54292427
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametrans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
SMILESCC(C)[C@@H]1CCC(C)(O)[C@H](O)C1
InChIInChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9,11-12H,4-6H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyRYLFWQILVNWPEL-MGRQHWMJSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol 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-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 130150641
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
2,2-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decan-6-ol
CID 12527840
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79133079
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
(1aS,2R,2aS,4R,6aR,7S)-2,6a-dimethyl-4-propan-2-yl-1a,2a,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene-2,7-diol
CID 134975171
benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium
CID 54447227

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol?
The IUPAC name of trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol (CID 54292427) is trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol.
What is the SMILES notation for trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol?
The canonical SMILES for trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol is CC(C)[C@@H]1CCC(C)(O)[C@H](O)C1.
What is the InChIKey of trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol?
The InChIKey is RYLFWQILVNWPEL-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9,11-12H,4-6H2,1-3H3/t8-,9-,10?/m1/s1.
What are the key properties of trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol?
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol is sourced from PubChem (CID 54292427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).