2-nonyltetracyclo[2.1.0.01,3.02,5]pentane

C14H22 — CID 57053286

IUPAC2-nonyltetracyclo[2.1.0.01,3.02,5]pentane
SMILESCCCCCCCCCC12C3C4C1C432
InChIInChI=1S/C14H22/c1-2-3-4-5-6-7-8-9-13-11-10-12(13)14(10,11)13/h10-12H,2-9H2,1H3
InChIKeyDGBPWJYLUSRZOK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.00
Rot. Bonds8

About 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane

2-nonyltetracyclo[2.1.0.01,3.02,5]pentane (PubChem CID 57053286) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane.

Molecular Properties

Compound Name2-nonyltetracyclo[2.1.0.01,3.02,5]pentane
PubChem CID57053286
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-nonyltetracyclo[2.1.0.01,3.02,5]pentane
SMILESCCCCCCCCCC12C3C4C1C432
InChIInChI=1S/C14H22/c1-2-3-4-5-6-7-8-9-13-11-10-12(13)14(10,11)13/h10-12H,2-9H2,1H3
InChIKeyDGBPWJYLUSRZOK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane 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 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane?
The IUPAC name of 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane (CID 57053286) is 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane.
What is the SMILES notation for 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane?
The canonical SMILES for 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane is CCCCCCCCCC12C3C4C1C432.
What is the InChIKey of 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane?
The InChIKey is DGBPWJYLUSRZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-5-6-7-8-9-13-11-10-12(13)14(10,11)13/h10-12H,2-9H2,1H3.
What are the key properties of 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane?
2-nonyltetracyclo[2.1.0.01,3.02,5]pentane has a molecular weight of 190.33 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyltetracyclo[2.1.0.01,3.02,5]pentane is sourced from PubChem (CID 57053286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).