1,5-diethyl-2,3-dimethylcyclohexane

C12H24 — CID 557905

IUPAC1,5-diethyl-2,3-dimethylcyclohexane
SMILESCCC1CC(C)C(C)C(CC)C1
InChIInChI=1S/C12H24/c1-5-11-7-9(3)10(4)12(6-2)8-11/h9-12H,5-8H2,1-4H3
InChIKeyLIPDNVJRSSRBTE-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About 1,5-diethyl-2,3-dimethylcyclohexane

1,5-diethyl-2,3-dimethylcyclohexane (PubChem CID 557905) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,5-diethyl-2,3-dimethylcyclohexane.

Molecular Properties

Compound Name1,5-diethyl-2,3-dimethylcyclohexane
PubChem CID557905
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,5-diethyl-2,3-dimethylcyclohexane
SMILESCCC1CC(C)C(C)C(CC)C1
InChIInChI=1S/C12H24/c1-5-11-7-9(3)10(4)12(6-2)8-11/h9-12H,5-8H2,1-4H3
InChIKeyLIPDNVJRSSRBTE-UHFFFAOYSA-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 1,5-diethyl-2,3-dimethylcyclohexane?
The IUPAC name of 1,5-diethyl-2,3-dimethylcyclohexane (CID 557905) is 1,5-diethyl-2,3-dimethylcyclohexane.
What is the SMILES notation for 1,5-diethyl-2,3-dimethylcyclohexane?
The canonical SMILES for 1,5-diethyl-2,3-dimethylcyclohexane is CCC1CC(C)C(C)C(CC)C1.
What is the InChIKey of 1,5-diethyl-2,3-dimethylcyclohexane?
The InChIKey is LIPDNVJRSSRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-7-9(3)10(4)12(6-2)8-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,5-diethyl-2,3-dimethylcyclohexane?
1,5-diethyl-2,3-dimethylcyclohexane 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 1,5-diethyl-2,3-dimethylcyclohexane is sourced from PubChem (CID 557905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).