1-butyl-2-(9-methyldodecyl)cyclopropane

C20H40 — CID 123448389

IUPAC1-butyl-2-(9-methyldodecyl)cyclopropane
SMILESCCCCC1CC1CCCCCCCCC(C)CCC
InChIInChI=1S/C20H40/c1-4-6-15-19-17-20(19)16-12-10-8-7-9-11-14-18(3)13-5-2/h18-20H,4-17H2,1-3H3
InChIKeyIHUHCROBWUYHBX-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.37
Rot. Bonds14

About 1-butyl-2-(9-methyldodecyl)cyclopropane

1-butyl-2-(9-methyldodecyl)cyclopropane (PubChem CID 123448389) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-butyl-2-(9-methyldodecyl)cyclopropane.

Molecular Properties

Compound Name1-butyl-2-(9-methyldodecyl)cyclopropane
PubChem CID123448389
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-butyl-2-(9-methyldodecyl)cyclopropane
SMILESCCCCC1CC1CCCCCCCCC(C)CCC
InChIInChI=1S/C20H40/c1-4-6-15-19-17-20(19)16-12-10-8-7-9-11-14-18(3)13-5-2/h18-20H,4-17H2,1-3H3
InChIKeyIHUHCROBWUYHBX-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.37
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-butyl-2-(9-methyldodecyl)cyclopropane?
The IUPAC name of 1-butyl-2-(9-methyldodecyl)cyclopropane (CID 123448389) is 1-butyl-2-(9-methyldodecyl)cyclopropane.
What is the SMILES notation for 1-butyl-2-(9-methyldodecyl)cyclopropane?
The canonical SMILES for 1-butyl-2-(9-methyldodecyl)cyclopropane is CCCCC1CC1CCCCCCCCC(C)CCC.
What is the InChIKey of 1-butyl-2-(9-methyldodecyl)cyclopropane?
The InChIKey is IHUHCROBWUYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-4-6-15-19-17-20(19)16-12-10-8-7-9-11-14-18(3)13-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 1-butyl-2-(9-methyldodecyl)cyclopropane?
1-butyl-2-(9-methyldodecyl)cyclopropane has a molecular weight of 280.54 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(9-methyldodecyl)cyclopropane is sourced from PubChem (CID 123448389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).