1,1-diethyl-3-methylcyclohexane

C11H22 — CID 19090157

IUPAC1,1-diethyl-3-methylcyclohexane
SMILESCCC1(CC)CCCC(C)C1
InChIInChI=1S/C11H22/c1-4-11(5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyCALGETZHXZAWAT-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds2

About 1,1-diethyl-3-methylcyclohexane

1,1-diethyl-3-methylcyclohexane (PubChem CID 19090157) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1-diethyl-3-methylcyclohexane.

Molecular Properties

Compound Name1,1-diethyl-3-methylcyclohexane
PubChem CID19090157
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1-diethyl-3-methylcyclohexane
SMILESCCC1(CC)CCCC(C)C1
InChIInChI=1S/C11H22/c1-4-11(5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyCALGETZHXZAWAT-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methylcyclohexane?
The IUPAC name of 1,1-diethyl-3-methylcyclohexane (CID 19090157) is 1,1-diethyl-3-methylcyclohexane.
What is the SMILES notation for 1,1-diethyl-3-methylcyclohexane?
The canonical SMILES for 1,1-diethyl-3-methylcyclohexane is CCC1(CC)CCCC(C)C1.
What is the InChIKey of 1,1-diethyl-3-methylcyclohexane?
The InChIKey is CALGETZHXZAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-11(5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3.
What are the key properties of 1,1-diethyl-3-methylcyclohexane?
1,1-diethyl-3-methylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methylcyclohexane is sourced from PubChem (CID 19090157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).