1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one

C15H24O — CID 20565982

IUPAC1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one
SMILESO=C1CCCCCCCCC2=C(CCC2)C1
InChIInChI=1S/C15H24O/c16-15-11-6-4-2-1-3-5-8-13-9-7-10-14(13)12-15/h1-12H2
InChIKeyXYMZDKYRWSDSEV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.56
Rot. Bonds

About 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one

1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one (PubChem CID 20565982) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one
PubChem CID20565982
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one
SMILESO=C1CCCCCCCCC2=C(CCC2)C1
InChIInChI=1S/C15H24O/c16-15-11-6-4-2-1-3-5-8-13-9-7-10-14(13)12-15/h1-12H2
InChIKeyXYMZDKYRWSDSEV-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one?
The IUPAC name of 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one (CID 20565982) is 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one.
What is the SMILES notation for 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one?
The canonical SMILES for 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one is O=C1CCCCCCCCC2=C(CCC2)C1.
What is the InChIKey of 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one?
The InChIKey is XYMZDKYRWSDSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c16-15-11-6-4-2-1-3-5-8-13-9-7-10-14(13)12-15/h1-12H2.
What are the key properties of 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one?
1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one has a molecular weight of 220.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one is sourced from PubChem (CID 20565982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).