1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane

C30H54 — CID 91326034

IUPAC1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane
SMILESCC1(C)C(C)(C)C2(C)C1(C)C(C)(C)C1(C)C(C)(C)C3(C)C(C)(C)C(C)(C)C3(C)C12C
InChIInChI=1S/C30H54/c1-19(2)21(5,6)28(16)25(19,13)23(9,10)27(15)24(11,12)26(14)20(3,4)22(7,8)29(26,17)30(27,28)18/h1-18H3
InChIKeyIOEGVBDOXOFEKT-UHFFFAOYSA-N
MW414.76 g/mol
LogP9.24
Rot. Bonds

About 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane

1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane (PubChem CID 91326034) has the molecular formula C30H54 and a molecular weight of 414.76 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane.

Molecular Properties

Compound Name1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane
PubChem CID91326034
Molecular FormulaC30H54
Molecular Weight414.76 g/mol
Exact Mass414.42
IUPAC Name1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane
SMILESCC1(C)C(C)(C)C2(C)C1(C)C(C)(C)C1(C)C(C)(C)C3(C)C(C)(C)C(C)(C)C3(C)C12C
InChIInChI=1S/C30H54/c1-19(2)21(5,6)28(16)25(19,13)23(9,10)27(15)24(11,12)26(14)20(3,4)22(7,8)29(26,17)30(27,28)18/h1-18H3
InChIKeyIOEGVBDOXOFEKT-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]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 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane?
The IUPAC name of 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane (CID 91326034) is 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane.
What is the SMILES notation for 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane?
The canonical SMILES for 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane is CC1(C)C(C)(C)C2(C)C1(C)C(C)(C)C1(C)C(C)(C)C3(C)C(C)(C)C(C)(C)C3(C)C12C.
What is the InChIKey of 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane?
The InChIKey is IOEGVBDOXOFEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54/c1-19(2)21(5,6)28(16)25(19,13)23(9,10)27(15)24(11,12)26(14)20(3,4)22(7,8)29(26,17)30(27,28)18/h1-18H3.
What are the key properties of 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane?
1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane has a molecular weight of 414.76 g/mol, XLogP of 9.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,6,6,7,8,8,9,10,10,11,11,12-octadecamethyltetracyclo[5.5.0.02,5.09,12]dodecane is sourced from PubChem (CID 91326034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).