1,1-diethylcyclopentane

C9H18 — CID 520297

IUPAC1,1-diethylcyclopentane
SMILESCCC1(CC)CCCC1
InChIInChI=1S/C9H18/c1-3-9(4-2)7-5-6-8-9/h3-8H2,1-2H3
InChIKeyDPGQSDLGKGLNHC-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.37
Rot. Bonds2

About 1,1-diethylcyclopentane

1,1-diethylcyclopentane (PubChem CID 520297) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,1-diethylcyclopentane.

Molecular Properties

Compound Name1,1-diethylcyclopentane
PubChem CID520297
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,1-diethylcyclopentane
SMILESCCC1(CC)CCCC1
InChIInChI=1S/C9H18/c1-3-9(4-2)7-5-6-8-9/h3-8H2,1-2H3
InChIKeyDPGQSDLGKGLNHC-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethylcyclopentane?
The IUPAC name of 1,1-diethylcyclopentane (CID 520297) is 1,1-diethylcyclopentane.
What is the SMILES notation for 1,1-diethylcyclopentane?
The canonical SMILES for 1,1-diethylcyclopentane is CCC1(CC)CCCC1.
What is the InChIKey of 1,1-diethylcyclopentane?
The InChIKey is DPGQSDLGKGLNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-9(4-2)7-5-6-8-9/h3-8H2,1-2H3.
What are the key properties of 1,1-diethylcyclopentane?
1,1-diethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylcyclopentane is sourced from PubChem (CID 520297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).