3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one

C15H24O — CID 18402284

IUPAC3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
SMILESCC1C(=O)C=C2CCCCCCCCCC21
InChIInChI=1S/C15H24O/c1-12-14-10-8-6-4-2-3-5-7-9-13(14)11-15(12)16/h11-12,14H,2-10H2,1H3
InChIKeyHHNOKQMHUILWDV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.27
Rot. Bonds

About 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one

3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one (PubChem CID 18402284) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one.

Molecular Properties

Compound Name3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
PubChem CID18402284
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
SMILESCC1C(=O)C=C2CCCCCCCCCC21
InChIInChI=1S/C15H24O/c1-12-14-10-8-6-4-2-3-5-7-9-13(14)11-15(12)16/h11-12,14H,2-10H2,1H3
InChIKeyHHNOKQMHUILWDV-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The IUPAC name of 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one (CID 18402284) is 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one.
What is the SMILES notation for 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The canonical SMILES for 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one is CC1C(=O)C=C2CCCCCCCCCC21.
What is the InChIKey of 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The InChIKey is HHNOKQMHUILWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12-14-10-8-6-4-2-3-5-7-9-13(14)11-15(12)16/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one is sourced from PubChem (CID 18402284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).