2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene

C15H20 — CID 154673136

IUPAC2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
SMILESCC1CCC2Cc3ccccc3CC2C1
InChIInChI=1S/C15H20/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-5,11,14-15H,6-10H2,1H3
InChIKeyPSFLLJNCDVLVGL-UHFFFAOYSA-N
MW200.33 g/mol
LogP3.84
Rot. Bonds

About 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene

2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene (PubChem CID 154673136) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene.

Molecular Properties

Compound Name2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
PubChem CID154673136
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
SMILESCC1CCC2Cc3ccccc3CC2C1
InChIInChI=1S/C15H20/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-5,11,14-15H,6-10H2,1H3
InChIKeyPSFLLJNCDVLVGL-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
The IUPAC name of 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene (CID 154673136) is 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene.
What is the SMILES notation for 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
The canonical SMILES for 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene is CC1CCC2Cc3ccccc3CC2C1.
What is the InChIKey of 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
The InChIKey is PSFLLJNCDVLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene has a molecular weight of 200.33 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene is sourced from PubChem (CID 154673136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).