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

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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).