3-methyltetracyclo[5.2.1.03,8.05,8]decane

C11H16 — CID 54128500

IUPAC3-methyltetracyclo[5.2.1.03,8.05,8]decane
SMILESCC12CC3CC4CC(C1)C42C3
InChIInChI=1S/C11H16/c1-10-4-7-2-8-3-9(6-10)11(8,10)5-7/h7-9H,2-6H2,1H3
InChIKeyNSQIEUCBYSUKGN-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.83
Rot. Bonds

About 3-methyltetracyclo[5.2.1.03,8.05,8]decane

3-methyltetracyclo[5.2.1.03,8.05,8]decane (PubChem CID 54128500) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-methyltetracyclo[5.2.1.03,8.05,8]decane.

Molecular Properties

Compound Name3-methyltetracyclo[5.2.1.03,8.05,8]decane
PubChem CID54128500
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-methyltetracyclo[5.2.1.03,8.05,8]decane
SMILESCC12CC3CC4CC(C1)C42C3
InChIInChI=1S/C11H16/c1-10-4-7-2-8-3-9(6-10)11(8,10)5-7/h7-9H,2-6H2,1H3
InChIKeyNSQIEUCBYSUKGN-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyltetracyclo[5.2.1.03,8.05,8]decane 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 3-methyltetracyclo[5.2.1.03,8.05,8]decane?
The IUPAC name of 3-methyltetracyclo[5.2.1.03,8.05,8]decane (CID 54128500) is 3-methyltetracyclo[5.2.1.03,8.05,8]decane.
What is the SMILES notation for 3-methyltetracyclo[5.2.1.03,8.05,8]decane?
The canonical SMILES for 3-methyltetracyclo[5.2.1.03,8.05,8]decane is CC12CC3CC4CC(C1)C42C3.
What is the InChIKey of 3-methyltetracyclo[5.2.1.03,8.05,8]decane?
The InChIKey is NSQIEUCBYSUKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-10-4-7-2-8-3-9(6-10)11(8,10)5-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyltetracyclo[5.2.1.03,8.05,8]decane?
3-methyltetracyclo[5.2.1.03,8.05,8]decane has a molecular weight of 148.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltetracyclo[5.2.1.03,8.05,8]decane is sourced from PubChem (CID 54128500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).