(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane

C12H24 — CID 55253031

IUPAC(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@@H]1C[C@H](C)CC[C@H]1C
InChIInChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3/t10-,11-,12-/m1/s1
InChIKeyZYJPKZNMMTYTPA-IJLUTSLNSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane

(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane (PubChem CID 55253031) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
PubChem CID55253031
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@@H]1C[C@H](C)CC[C@H]1C
InChIInChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3/t10-,11-,12-/m1/s1
InChIKeyZYJPKZNMMTYTPA-IJLUTSLNSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane?
The IUPAC name of (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane (CID 55253031) is (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane.
What is the SMILES notation for (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane?
The canonical SMILES for (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane is CC(C)C[C@@H]1C[C@H](C)CC[C@H]1C.
What is the InChIKey of (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane?
The InChIKey is ZYJPKZNMMTYTPA-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane?
(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 55253031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).