heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane

C18H24 — CID 13329065

IUPACheptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane
SMILESC1CCC2C(C1)C1C3C4C5CCC6C5C1C(C64)C23
InChIInChI=1S/C18H24/c1-2-4-8-7(3-1)12-16-11-9-5-6-10(11)15-14(9)17(12)13(8)18(15)16/h7-18H,1-6H2
InChIKeyNFFKJVAKTVOWFK-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.82
Rot. Bonds

About heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane

heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane (PubChem CID 13329065) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane.

Molecular Properties

Compound Nameheptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane
PubChem CID13329065
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Nameheptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane
SMILESC1CCC2C(C1)C1C3C4C5CCC6C5C1C(C64)C23
InChIInChI=1S/C18H24/c1-2-4-8-7(3-1)12-16-11-9-5-6-10(11)15-14(9)17(12)13(8)18(15)16/h7-18H,1-6H2
InChIKeyNFFKJVAKTVOWFK-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane 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 heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane?
The IUPAC name of heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane (CID 13329065) is heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane.
What is the SMILES notation for heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane?
The canonical SMILES for heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane is C1CCC2C(C1)C1C3C4C5CCC6C5C1C(C64)C23.
What is the InChIKey of heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane?
The InChIKey is NFFKJVAKTVOWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-4-8-7(3-1)12-16-11-9-5-6-10(11)15-14(9)17(12)13(8)18(15)16/h7-18H,1-6H2.
What are the key properties of heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane?
heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane has a molecular weight of 240.39 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane is sourced from PubChem (CID 13329065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).