2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene

C19H34 — CID 162287879

IUPAC2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene
SMILESCC1CCC2CC3(C)CC(C)C(C)CC3(C)CC2C1
InChIInChI=1S/C19H34/c1-13-6-7-16-11-18(4)9-14(2)15(3)10-19(18,5)12-17(16)8-13/h13-17H,6-12H2,1-5H3
InChIKeyPNJAXOLXUSDEAT-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.91
Rot. Bonds

About 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene

2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene (PubChem CID 162287879) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene.

Molecular Properties

Compound Name2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene
PubChem CID162287879
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene
SMILESCC1CCC2CC3(C)CC(C)C(C)CC3(C)CC2C1
InChIInChI=1S/C19H34/c1-13-6-7-16-11-18(4)9-14(2)15(3)10-19(18,5)12-17(16)8-13/h13-17H,6-12H2,1-5H3
InChIKeyPNJAXOLXUSDEAT-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene 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 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene?
The IUPAC name of 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene (CID 162287879) is 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene.
What is the SMILES notation for 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene?
The canonical SMILES for 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene is CC1CCC2CC3(C)CC(C)C(C)CC3(C)CC2C1.
What is the InChIKey of 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene?
The InChIKey is PNJAXOLXUSDEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-13-6-7-16-11-18(4)9-14(2)15(3)10-19(18,5)12-17(16)8-13/h13-17H,6-12H2,1-5H3.
What are the key properties of 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene?
2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene has a molecular weight of 262.48 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8a,10a-pentamethyl-1,2,3,4,4a,5,6,7,8,9,9a,10-dodecahydroanthracene is sourced from PubChem (CID 162287879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).