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

C16H26O — CID 18402424

IUPAC3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
SMILESCCC1C(=O)C=C2CCCCCCCCCC21
InChIInChI=1S/C16H26O/c1-2-14-15-11-9-7-5-3-4-6-8-10-13(15)12-16(14)17/h12,14-15H,2-11H2,1H3
InChIKeyHYFNTMPWYWSMKM-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.66
Rot. Bonds1

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

3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one (PubChem CID 18402424) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one.

Molecular Properties

Compound Name3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
PubChem CID18402424
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
SMILESCCC1C(=O)C=C2CCCCCCCCCC21
InChIInChI=1S/C16H26O/c1-2-14-15-11-9-7-5-3-4-6-8-10-13(15)12-16(14)17/h12,14-15H,2-11H2,1H3
InChIKeyHYFNTMPWYWSMKM-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The IUPAC name of 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one (CID 18402424) is 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one.
What is the SMILES notation for 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The canonical SMILES for 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one is CCC1C(=O)C=C2CCCCCCCCCC21.
What is the InChIKey of 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The InChIKey is HYFNTMPWYWSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-14-15-11-9-7-5-3-4-6-8-10-13(15)12-16(14)17/h12,14-15H,2-11H2,1H3.
What are the key properties of 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one has a molecular weight of 234.38 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one is sourced from PubChem (CID 18402424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).