1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane

C13H26 — CID 90804985

IUPAC1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
SMILESCCCCCC1(C)C(C)C1C(C)C
InChIInChI=1S/C13H26/c1-6-7-8-9-13(5)11(4)12(13)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyPOYMVFGNSIUKQV-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds5

About 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane

1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane (PubChem CID 90804985) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
PubChem CID90804985
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
SMILESCCCCCC1(C)C(C)C1C(C)C
InChIInChI=1S/C13H26/c1-6-7-8-9-13(5)11(4)12(13)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyPOYMVFGNSIUKQV-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane?
The IUPAC name of 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane (CID 90804985) is 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane?
The canonical SMILES for 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane is CCCCCC1(C)C(C)C1C(C)C.
What is the InChIKey of 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane?
The InChIKey is POYMVFGNSIUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-7-8-9-13(5)11(4)12(13)10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane?
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane is sourced from PubChem (CID 90804985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).