pentacyclo[9.1.0.01,3.04,6.07,9]dodecane

C12H16 — CID 15781414

IUPACpentacyclo[9.1.0.01,3.04,6.07,9]dodecane
SMILESC1C2CC3CC34CC4C3CC3C12
InChIInChI=1S/C12H16/c1-6-2-8(6)9-3-10(9)11-5-12(11)4-7(1)12/h6-11H,1-5H2
InChIKeyQQVYYJXOYVZEDI-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.69
Rot. Bonds

About pentacyclo[9.1.0.01,3.04,6.07,9]dodecane

pentacyclo[9.1.0.01,3.04,6.07,9]dodecane (PubChem CID 15781414) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is pentacyclo[9.1.0.01,3.04,6.07,9]dodecane.

Molecular Properties

Compound Namepentacyclo[9.1.0.01,3.04,6.07,9]dodecane
PubChem CID15781414
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namepentacyclo[9.1.0.01,3.04,6.07,9]dodecane
SMILESC1C2CC3CC34CC4C3CC3C12
InChIInChI=1S/C12H16/c1-6-2-8(6)9-3-10(9)11-5-12(11)4-7(1)12/h6-11H,1-5H2
InChIKeyQQVYYJXOYVZEDI-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentacyclo[9.1.0.01,3.04,6.07,9]dodecane 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 pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
The IUPAC name of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane (CID 15781414) is pentacyclo[9.1.0.01,3.04,6.07,9]dodecane.
What is the SMILES notation for pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
The canonical SMILES for pentacyclo[9.1.0.01,3.04,6.07,9]dodecane is C1C2CC3CC34CC4C3CC3C12.
What is the InChIKey of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
The InChIKey is QQVYYJXOYVZEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-6-2-8(6)9-3-10(9)11-5-12(11)4-7(1)12/h6-11H,1-5H2.
What are the key properties of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
pentacyclo[9.1.0.01,3.04,6.07,9]dodecane has a molecular weight of 160.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.1.0.01,3.04,6.07,9]dodecane is sourced from PubChem (CID 15781414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).