1-ethyl-2,2-dimethyl-1-pentylcyclopropane

C12H24 — CID 90922173

IUPAC1-ethyl-2,2-dimethyl-1-pentylcyclopropane
SMILESCCCCCC1(CC)CC1(C)C
InChIInChI=1S/C12H24/c1-5-7-8-9-12(6-2)10-11(12,3)4/h5-10H2,1-4H3
InChIKeyPCJNCPPDHQLZCV-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds5

About 1-ethyl-2,2-dimethyl-1-pentylcyclopropane

1-ethyl-2,2-dimethyl-1-pentylcyclopropane (PubChem CID 90922173) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-1-pentylcyclopropane.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-1-pentylcyclopropane
PubChem CID90922173
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-ethyl-2,2-dimethyl-1-pentylcyclopropane
SMILESCCCCCC1(CC)CC1(C)C
InChIInChI=1S/C12H24/c1-5-7-8-9-12(6-2)10-11(12,3)4/h5-10H2,1-4H3
InChIKeyPCJNCPPDHQLZCV-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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-ethyl-2,2-dimethyl-1-pentylcyclopropane?
The IUPAC name of 1-ethyl-2,2-dimethyl-1-pentylcyclopropane (CID 90922173) is 1-ethyl-2,2-dimethyl-1-pentylcyclopropane.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-1-pentylcyclopropane?
The canonical SMILES for 1-ethyl-2,2-dimethyl-1-pentylcyclopropane is CCCCCC1(CC)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-1-pentylcyclopropane?
The InChIKey is PCJNCPPDHQLZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-7-8-9-12(6-2)10-11(12,3)4/h5-10H2,1-4H3.
What are the key properties of 1-ethyl-2,2-dimethyl-1-pentylcyclopropane?
1-ethyl-2,2-dimethyl-1-pentylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-1-pentylcyclopropane is sourced from PubChem (CID 90922173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).