1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione

C18H20O3 — CID 5314186

IUPAC1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione
SMILESO=C1C2=C(C(=O)C3C4C=CC(CC4)C13)C1(O)CCC2CC1
InChIInChI=1S/C18H20O3/c19-16-12-9-1-3-10(4-2-9)13(12)17(20)15-14(16)11-5-7-18(15,21)8-6-11/h1,3,9-13,21H,2,4-8H2
InChIKeyGZAZRPSKJQMUHE-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.20
Rot. Bonds

About 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione

1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione (PubChem CID 5314186) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione.

Molecular Properties

Compound Name1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione
PubChem CID5314186
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione
SMILESO=C1C2=C(C(=O)C3C4C=CC(CC4)C13)C1(O)CCC2CC1
InChIInChI=1S/C18H20O3/c19-16-12-9-1-3-10(4-2-9)13(12)17(20)15-14(16)11-5-7-18(15,21)8-6-11/h1,3,9-13,21H,2,4-8H2
InChIKeyGZAZRPSKJQMUHE-UHFFFAOYSA-N
XLogP2.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione?
The IUPAC name of 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione (CID 5314186) is 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione.
What is the SMILES notation for 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione?
The canonical SMILES for 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione is O=C1C2=C(C(=O)C3C4C=CC(CC4)C13)C1(O)CCC2CC1.
What is the InChIKey of 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione?
The InChIKey is GZAZRPSKJQMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-16-12-9-1-3-10(4-2-9)13(12)17(20)15-14(16)11-5-7-18(15,21)8-6-11/h1,3,9-13,21H,2,4-8H2.
What are the key properties of 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione?
1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione has a molecular weight of 284.35 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),6-diene-3,10-dione is sourced from PubChem (CID 5314186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).