1-methyl-1-nonylcyclopropane

C13H26 — CID 10845170

IUPAC1-methyl-1-nonylcyclopropane
SMILESCCCCCCCCCC1(C)CC1
InChIInChI=1S/C13H26/c1-3-4-5-6-7-8-9-10-13(2)11-12-13/h3-12H2,1-2H3
InChIKeyLHWUCJGBETUZLK-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.93
Rot. Bonds8

About 1-methyl-1-nonylcyclopropane

1-methyl-1-nonylcyclopropane (PubChem CID 10845170) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-1-nonylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-nonylcyclopropane
PubChem CID10845170
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-1-nonylcyclopropane
SMILESCCCCCCCCCC1(C)CC1
InChIInChI=1S/C13H26/c1-3-4-5-6-7-8-9-10-13(2)11-12-13/h3-12H2,1-2H3
InChIKeyLHWUCJGBETUZLK-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.93
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-1-nonylcyclopropane?
The IUPAC name of 1-methyl-1-nonylcyclopropane (CID 10845170) is 1-methyl-1-nonylcyclopropane.
What is the SMILES notation for 1-methyl-1-nonylcyclopropane?
The canonical SMILES for 1-methyl-1-nonylcyclopropane is CCCCCCCCCC1(C)CC1.
What is the InChIKey of 1-methyl-1-nonylcyclopropane?
The InChIKey is LHWUCJGBETUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-3-4-5-6-7-8-9-10-13(2)11-12-13/h3-12H2,1-2H3.
What are the key properties of 1-methyl-1-nonylcyclopropane?
1-methyl-1-nonylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-nonylcyclopropane is sourced from PubChem (CID 10845170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).