(1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane

C13H25Cl — CID 138749515

IUPAC(1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane
SMILESCCCC1CC(C)CC[C@@H]1CC(C)Cl
InChIInChI=1S/C13H25Cl/c1-4-5-12-8-10(2)6-7-13(12)9-11(3)14/h10-13H,4-9H2,1-3H3/t10?,11?,12?,13-/m1/s1
InChIKeyHYYBHPGNJGORIK-NODFVKRRSA-N
MW216.80 g/mol
LogP4.86
Rot. Bonds4

About (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane

(1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane (PubChem CID 138749515) has the molecular formula C13H25Cl and a molecular weight of 216.80 g/mol. Its IUPAC name is (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane.

Molecular Properties

Compound Name(1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane
PubChem CID138749515
Molecular FormulaC13H25Cl
Molecular Weight216.80 g/mol
Exact Mass216.16
IUPAC Name(1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane
SMILESCCCC1CC(C)CC[C@@H]1CC(C)Cl
InChIInChI=1S/C13H25Cl/c1-4-5-12-8-10(2)6-7-13(12)9-11(3)14/h10-13H,4-9H2,1-3H3/t10?,11?,12?,13-/m1/s1
InChIKeyHYYBHPGNJGORIK-NODFVKRRSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane?
The IUPAC name of (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane (CID 138749515) is (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane.
What is the SMILES notation for (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane?
The canonical SMILES for (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane is CCCC1CC(C)CC[C@@H]1CC(C)Cl.
What is the InChIKey of (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane?
The InChIKey is HYYBHPGNJGORIK-NODFVKRRSA-N. The full InChI is InChI=1S/C13H25Cl/c1-4-5-12-8-10(2)6-7-13(12)9-11(3)14/h10-13H,4-9H2,1-3H3/t10?,11?,12?,13-/m1/s1.
What are the key properties of (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane?
(1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane has a molecular weight of 216.80 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloropropyl)-4-methyl-2-propylcyclohexane is sourced from PubChem (CID 138749515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).