1,1-diethylcyclohexane

C10H20 — CID 12644944

IUPAC1,1-diethylcyclohexane
SMILESCCC1(CC)CCCCC1
InChIInChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3
InChIKeyGCYUJISWSVALJD-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.76
Rot. Bonds2

About 1,1-diethylcyclohexane

1,1-diethylcyclohexane (PubChem CID 12644944) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1,1-diethylcyclohexane.

Molecular Properties

Compound Name1,1-diethylcyclohexane
PubChem CID12644944
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1,1-diethylcyclohexane
SMILESCCC1(CC)CCCCC1
InChIInChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3
InChIKeyGCYUJISWSVALJD-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethylcyclohexane?
The IUPAC name of 1,1-diethylcyclohexane (CID 12644944) is 1,1-diethylcyclohexane.
What is the SMILES notation for 1,1-diethylcyclohexane?
The canonical SMILES for 1,1-diethylcyclohexane is CCC1(CC)CCCCC1.
What is the InChIKey of 1,1-diethylcyclohexane?
The InChIKey is GCYUJISWSVALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3.
What are the key properties of 1,1-diethylcyclohexane?
1,1-diethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylcyclohexane is sourced from PubChem (CID 12644944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).