ethane;1-ethyl-1-hexylcyclopropane

C13H28 — CID 143025428

IUPACethane;1-ethyl-1-hexylcyclopropane
SMILESCC.CCCCCCC1(CC)CC1
InChIInChI=1S/C11H22.C2H6/c1-3-5-6-7-8-11(4-2)9-10-11;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyUQEYSUHDAKKMRN-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.17
Rot. Bonds6

About ethane;1-ethyl-1-hexylcyclopropane

ethane;1-ethyl-1-hexylcyclopropane (PubChem CID 143025428) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;1-ethyl-1-hexylcyclopropane.

Molecular Properties

Compound Nameethane;1-ethyl-1-hexylcyclopropane
PubChem CID143025428
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;1-ethyl-1-hexylcyclopropane
SMILESCC.CCCCCCC1(CC)CC1
InChIInChI=1S/C11H22.C2H6/c1-3-5-6-7-8-11(4-2)9-10-11;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyUQEYSUHDAKKMRN-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 66026661
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CID 134979265
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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-1-hexylcyclopropane?
The IUPAC name of ethane;1-ethyl-1-hexylcyclopropane (CID 143025428) is ethane;1-ethyl-1-hexylcyclopropane.
What is the SMILES notation for ethane;1-ethyl-1-hexylcyclopropane?
The canonical SMILES for ethane;1-ethyl-1-hexylcyclopropane is CC.CCCCCCC1(CC)CC1.
What is the InChIKey of ethane;1-ethyl-1-hexylcyclopropane?
The InChIKey is UQEYSUHDAKKMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-3-5-6-7-8-11(4-2)9-10-11;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-1-hexylcyclopropane?
ethane;1-ethyl-1-hexylcyclopropane has a molecular weight of 184.37 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-1-hexylcyclopropane is sourced from PubChem (CID 143025428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).