1,2-diethyl-1-pentylcyclopropane

C12H24 — CID 15496601

IUPAC1,2-diethyl-1-pentylcyclopropane
SMILESCCCCCC1(CC)CC1CC
InChIInChI=1S/C12H24/c1-4-7-8-9-12(6-3)10-11(12)5-2/h11H,4-10H2,1-3H3
InChIKeyPVUHAWZQWJJJOT-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds6

About 1,2-diethyl-1-pentylcyclopropane

1,2-diethyl-1-pentylcyclopropane (PubChem CID 15496601) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,2-diethyl-1-pentylcyclopropane.

Molecular Properties

Compound Name1,2-diethyl-1-pentylcyclopropane
PubChem CID15496601
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,2-diethyl-1-pentylcyclopropane
SMILESCCCCCC1(CC)CC1CC
InChIInChI=1S/C12H24/c1-4-7-8-9-12(6-3)10-11(12)5-2/h11H,4-10H2,1-3H3
InChIKeyPVUHAWZQWJJJOT-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-pentylcyclopropane?
The IUPAC name of 1,2-diethyl-1-pentylcyclopropane (CID 15496601) is 1,2-diethyl-1-pentylcyclopropane.
What is the SMILES notation for 1,2-diethyl-1-pentylcyclopropane?
The canonical SMILES for 1,2-diethyl-1-pentylcyclopropane is CCCCCC1(CC)CC1CC.
What is the InChIKey of 1,2-diethyl-1-pentylcyclopropane?
The InChIKey is PVUHAWZQWJJJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-7-8-9-12(6-3)10-11(12)5-2/h11H,4-10H2,1-3H3.
What are the key properties of 1,2-diethyl-1-pentylcyclopropane?
1,2-diethyl-1-pentylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-pentylcyclopropane is sourced from PubChem (CID 15496601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).