12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene

C19H22 — CID 147219193

IUPAC12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene
SMILESCC1CC2=C(CCc3ccccc32)C2=C1CCCC2
InChIInChI=1S/C19H22/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-3,6,8,13H,4-5,7,9-12H2,1H3
InChIKeyVUGYIXQONLEHTJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.30
Rot. Bonds

About 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene

12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene (PubChem CID 147219193) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene.

Molecular Properties

Compound Name12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene
PubChem CID147219193
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene
SMILESCC1CC2=C(CCc3ccccc32)C2=C1CCCC2
InChIInChI=1S/C19H22/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-3,6,8,13H,4-5,7,9-12H2,1H3
InChIKeyVUGYIXQONLEHTJ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene?
The IUPAC name of 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene (CID 147219193) is 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene.
What is the SMILES notation for 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene?
The canonical SMILES for 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene is CC1CC2=C(CCc3ccccc32)C2=C1CCCC2.
What is the InChIKey of 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene?
The InChIKey is VUGYIXQONLEHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-3,6,8,13H,4-5,7,9-12H2,1H3.
What are the key properties of 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene?
12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene has a molecular weight of 250.38 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-1,2,3,4,5,6,11,12-octahydrochrysene is sourced from PubChem (CID 147219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).