1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane

C18H30 — CID 123527402

IUPAC1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane
SMILESCC1C2CC3C4(C)CC(C)(C1C)C4(C)C3(C)C2C
InChIInChI=1S/C18H30/c1-10-11(2)15(4)9-16(5)14-8-13(10)12(3)17(14,6)18(15,16)7/h10-14H,8-9H2,1-7H3
InChIKeyMHGIXKASSCZKOZ-UHFFFAOYSA-N
MW246.44 g/mol
LogP4.99
Rot. Bonds

About 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane

1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane (PubChem CID 123527402) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane.

Molecular Properties

Compound Name1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane
PubChem CID123527402
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane
SMILESCC1C2CC3C4(C)CC(C)(C1C)C4(C)C3(C)C2C
InChIInChI=1S/C18H30/c1-10-11(2)15(4)9-16(5)14-8-13(10)12(3)17(14,6)18(15,16)7/h10-14H,8-9H2,1-7H3
InChIKeyMHGIXKASSCZKOZ-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane 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

2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
CID 123913198
2,2,3,5-tetramethylbicyclo[2.1.1]hexane
CID 123374497
1,2,2,3,4,5,8-heptamethylbicyclo[4.2.0]octane
CID 123287392
1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
CID 123392988
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123505279
2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
CID 90058200
3,6-dimethyltricyclo[2.2.0.01,3]hexane
CID 123704244
1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
4-[(1S,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99133670
1,2,3,5-tetramethyl-5-azabicyclo[2.1.0]pentane
CID 163572928
1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-ol
CID 20792507

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane?
The IUPAC name of 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane (CID 123527402) is 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane.
What is the SMILES notation for 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane?
The canonical SMILES for 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane is CC1C2CC3C4(C)CC(C)(C1C)C4(C)C3(C)C2C.
What is the InChIKey of 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane?
The InChIKey is MHGIXKASSCZKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-10-11(2)15(4)9-16(5)14-8-13(10)12(3)17(14,6)18(15,16)7/h10-14H,8-9H2,1-7H3.
What are the key properties of 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane?
1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane has a molecular weight of 246.44 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane is sourced from PubChem (CID 123527402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).