1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane

C14H28 — CID 91128405

IUPAC1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
SMILESCC(C)CC(C)C1CCC(C)C(C)C1
InChIInChI=1S/C14H28/c1-10(2)8-13(5)14-7-6-11(3)12(4)9-14/h10-14H,6-9H2,1-5H3
InChIKeyXWYWWLSJSUKAQJ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds3

About 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane

1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane (PubChem CID 91128405) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
PubChem CID91128405
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
SMILESCC(C)CC(C)C1CCC(C)C(C)C1
InChIInChI=1S/C14H28/c1-10(2)8-13(5)14-7-6-11(3)12(4)9-14/h10-14H,6-9H2,1-5H3
InChIKeyXWYWWLSJSUKAQJ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane?
The IUPAC name of 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane (CID 91128405) is 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane.
What is the SMILES notation for 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane?
The canonical SMILES for 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane is CC(C)CC(C)C1CCC(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane?
The InChIKey is XWYWWLSJSUKAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)8-13(5)14-7-6-11(3)12(4)9-14/h10-14H,6-9H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane?
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane is sourced from PubChem (CID 91128405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).