1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one

C18H30O — CID 18402294

IUPAC1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
SMILESCCC1=C2CCCCCCCCCC2C(CC)C1=O
InChIInChI=1S/C18H30O/c1-3-14-16-12-10-8-6-5-7-9-11-13-17(16)15(4-2)18(14)19/h14,16H,3-13H2,1-2H3
InChIKeyORMFBIDKUQVOEX-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.44
Rot. Bonds2

About 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one

1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one (PubChem CID 18402294) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one.

Molecular Properties

Compound Name1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
PubChem CID18402294
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
SMILESCCC1=C2CCCCCCCCCC2C(CC)C1=O
InChIInChI=1S/C18H30O/c1-3-14-16-12-10-8-6-5-7-9-11-13-17(16)15(4-2)18(14)19/h14,16H,3-13H2,1-2H3
InChIKeyORMFBIDKUQVOEX-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 109192
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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The IUPAC name of 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one (CID 18402294) is 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one.
What is the SMILES notation for 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The canonical SMILES for 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one is CCC1=C2CCCCCCCCCC2C(CC)C1=O.
What is the InChIKey of 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
The InChIKey is ORMFBIDKUQVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-14-16-12-10-8-6-5-7-9-11-13-17(16)15(4-2)18(14)19/h14,16H,3-13H2,1-2H3.
What are the key properties of 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one?
1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one has a molecular weight of 262.44 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one is sourced from PubChem (CID 18402294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).