ethane;bis(ethylcyclopentane)

C16H34 — CID 158911237

IUPACethane;bis(ethylcyclopentane)
SMILESCC.CCC1CCCC1.CCC1CCCC1
InChIInChI=1S/2C7H14.C2H6/c2*1-2-7-5-3-4-6-7;1-2/h2*7H,2-6H2,1H3;1-2H3
InChIKeyJGRGNIWYIGMOKG-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds2

About ethane;bis(ethylcyclopentane)

ethane;bis(ethylcyclopentane) (PubChem CID 158911237) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is ethane;bis(ethylcyclopentane).

Molecular Properties

Compound Nameethane;bis(ethylcyclopentane)
PubChem CID158911237
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Nameethane;bis(ethylcyclopentane)
SMILESCC.CCC1CCCC1.CCC1CCCC1
InChIInChI=1S/2C7H14.C2H6/c2*1-2-7-5-3-4-6-7;1-2/h2*7H,2-6H2,1H3;1-2H3
InChIKeyJGRGNIWYIGMOKG-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91380076
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CID 174889190
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Frequently Asked Questions

What is the IUPAC name of ethane;bis(ethylcyclopentane)?
The IUPAC name of ethane;bis(ethylcyclopentane) (CID 158911237) is ethane;bis(ethylcyclopentane).
What is the SMILES notation for ethane;bis(ethylcyclopentane)?
The canonical SMILES for ethane;bis(ethylcyclopentane) is CC.CCC1CCCC1.CCC1CCCC1.
What is the InChIKey of ethane;bis(ethylcyclopentane)?
The InChIKey is JGRGNIWYIGMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14.C2H6/c2*1-2-7-5-3-4-6-7;1-2/h2*7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;bis(ethylcyclopentane)?
ethane;bis(ethylcyclopentane) has a molecular weight of 226.45 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(ethylcyclopentane) is sourced from PubChem (CID 158911237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).