1-methyltetracyclo[6.2.1.13,6.02,7]dodecane

C13H20 — CID 12936587

IUPAC1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC12CCC(C1)C1C3CCC(C3)C12
InChIInChI=1S/C13H20/c1-13-5-4-10(7-13)11-8-2-3-9(6-8)12(11)13/h8-12H,2-7H2,1H3
InChIKeyOLYFYNWFLPXVRW-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.47
Rot. Bonds

About 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane

1-methyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 12936587) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID12936587
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC12CCC(C1)C1C3CCC(C3)C12
InChIInChI=1S/C13H20/c1-13-5-4-10(7-13)11-8-2-3-9(6-8)12(11)13/h8-12H,2-7H2,1H3
InChIKeyOLYFYNWFLPXVRW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyltetracyclo[6.2.1.13,6.02,7]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 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 12936587) is 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane is CC12CCC(C1)C1C3CCC(C3)C12.
What is the InChIKey of 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is OLYFYNWFLPXVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-13-5-4-10(7-13)11-8-2-3-9(6-8)12(11)13/h8-12H,2-7H2,1H3.
What are the key properties of 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 176.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 12936587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).