1-methyl-2-pentylcyclopropane

C9H18 — CID 524612

IUPAC1-methyl-2-pentylcyclopropane
SMILESCCCCCC1CC1C
InChIInChI=1S/C9H18/c1-3-4-5-6-9-7-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeySSVIRINIJMZEHE-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds4

About 1-methyl-2-pentylcyclopropane

1-methyl-2-pentylcyclopropane (PubChem CID 524612) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-methyl-2-pentylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-pentylcyclopropane
PubChem CID524612
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-methyl-2-pentylcyclopropane
SMILESCCCCCC1CC1C
InChIInChI=1S/C9H18/c1-3-4-5-6-9-7-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeySSVIRINIJMZEHE-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
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-methyl-2-pentylcyclopropane?
The IUPAC name of 1-methyl-2-pentylcyclopropane (CID 524612) is 1-methyl-2-pentylcyclopropane.
What is the SMILES notation for 1-methyl-2-pentylcyclopropane?
The canonical SMILES for 1-methyl-2-pentylcyclopropane is CCCCCC1CC1C.
What is the InChIKey of 1-methyl-2-pentylcyclopropane?
The InChIKey is SSVIRINIJMZEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-4-5-6-9-7-8(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-methyl-2-pentylcyclopropane?
1-methyl-2-pentylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentylcyclopropane is sourced from PubChem (CID 524612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).