octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane

C14H14 — CID 71363415

IUPACoctacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane
SMILESC12C3C4C1C1C2C2C1C1C5C4C3C5C21
InChIInChI=1S/C14H14/c1-2-5-3(1)7-9(5)13-11(7)12-8-4(1)6(2)10(8)14(12)13/h1-14H
InChIKeyZVTIJXOAIFQAAF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.72
Rot. Bonds

About octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane

octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane (PubChem CID 71363415) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane.

Molecular Properties

Compound Nameoctacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane
PubChem CID71363415
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Nameoctacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane
SMILESC12C3C4C1C1C2C2C1C1C5C4C3C5C21
InChIInChI=1S/C14H14/c1-2-5-3(1)7-9(5)13-11(7)12-8-4(1)6(2)10(8)14(12)13/h1-14H
InChIKeyZVTIJXOAIFQAAF-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane 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 octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane?
The IUPAC name of octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane (CID 71363415) is octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane.
What is the SMILES notation for octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane?
The canonical SMILES for octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane is C12C3C4C1C1C2C2C1C1C5C4C3C5C21.
What is the InChIKey of octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane?
The InChIKey is ZVTIJXOAIFQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-5-3(1)7-9(5)13-11(7)12-8-4(1)6(2)10(8)14(12)13/h1-14H.
What are the key properties of octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane?
octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane has a molecular weight of 182.27 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane is sourced from PubChem (CID 71363415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).