4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane

C17H28 — CID 123907969

IUPAC4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1CC2CC1C1C3CC(C21)C(C(C)(C)C)C3
InChIInChI=1S/C17H28/c1-9-5-10-6-12(9)15-11-7-13(16(10)15)14(8-11)17(2,3)4/h9-16H,5-8H2,1-4H3
InChIKeyIIGZGLKRXXRCMG-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.60
Rot. Bonds

About 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane

4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 123907969) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID123907969
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1CC2CC1C1C3CC(C21)C(C(C)(C)C)C3
InChIInChI=1S/C17H28/c1-9-5-10-6-12(9)15-11-7-13(16(10)15)14(8-11)17(2,3)4/h9-16H,5-8H2,1-4H3
InChIKeyIIGZGLKRXXRCMG-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-9-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

Related Compounds

9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane;4,11-dimethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane;4,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 159041892
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 58944334
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide
CID 71205240
[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine
CID 166924073
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
CID 20804981
4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 89368912
1,3-dimethyl-2-(2-methylcyclopropyl)cyclobutane
CID 91132090
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 123907969) is 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane is CC1CC2CC1C1C3CC(C21)C(C(C)(C)C)C3.
What is the InChIKey of 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is IIGZGLKRXXRCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-9-5-10-6-12(9)15-11-7-13(16(10)15)14(8-11)17(2,3)4/h9-16H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 232.41 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 123907969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).