ethane;1-ethyl-3-methylcyclopentane;propane

C13H30 — CID 162724800

IUPACethane;1-ethyl-3-methylcyclopentane;propane
SMILESCC.CCC.CCC1CCC(C)C1
InChIInChI=1S/C8H16.C3H8.C2H6/c1-3-8-5-4-7(2)6-8;1-3-2;1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCFHSNXDLOUZCGE-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds1

About ethane;1-ethyl-3-methylcyclopentane;propane

ethane;1-ethyl-3-methylcyclopentane;propane (PubChem CID 162724800) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylcyclopentane;propane.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylcyclopentane;propane
PubChem CID162724800
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;1-ethyl-3-methylcyclopentane;propane
SMILESCC.CCC.CCC1CCC(C)C1
InChIInChI=1S/C8H16.C3H8.C2H6/c1-3-8-5-4-7(2)6-8;1-3-2;1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCFHSNXDLOUZCGE-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1-ethyl-3-methylcyclopentane;methane
CID 144878558
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1,3-diethylcyclopentane
CID 530396
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
ethane;ethylcyclopropane
CID 91380076
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylcyclopentane;propane?
The IUPAC name of ethane;1-ethyl-3-methylcyclopentane;propane (CID 162724800) is ethane;1-ethyl-3-methylcyclopentane;propane.
What is the SMILES notation for ethane;1-ethyl-3-methylcyclopentane;propane?
The canonical SMILES for ethane;1-ethyl-3-methylcyclopentane;propane is CC.CCC.CCC1CCC(C)C1.
What is the InChIKey of ethane;1-ethyl-3-methylcyclopentane;propane?
The InChIKey is CFHSNXDLOUZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C3H8.C2H6/c1-3-8-5-4-7(2)6-8;1-3-2;1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-methylcyclopentane;propane?
ethane;1-ethyl-3-methylcyclopentane;propane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylcyclopentane;propane is sourced from PubChem (CID 162724800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).