11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one

C10H10O2 — CID 130036435

IUPAC11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
SMILESO=C1C=CC2CC3=CCCC13O2
InChIInChI=1S/C10H10O2/c11-9-4-3-8-6-7-2-1-5-10(7,9)12-8/h2-4,8H,1,5-6H2
InChIKeyLAXRPWMWEBNBMF-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.37
Rot. Bonds

About 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one

11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one (PubChem CID 130036435) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one.

Molecular Properties

Compound Name11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
PubChem CID130036435
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
SMILESO=C1C=CC2CC3=CCCC13O2
InChIInChI=1S/C10H10O2/c11-9-4-3-8-6-7-2-1-5-10(7,9)12-8/h2-4,8H,1,5-6H2
InChIKeyLAXRPWMWEBNBMF-UHFFFAOYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031647
(1S,5S,6S)-6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 130930473
(1S,7R)-11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130985797
(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one
CID 134864360
(1R,5R,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134910864
(E)-1-[(1R,4S)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl]but-2-en-1-one
CID 102118424
1-Prop-2-ynyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 89568076
8-Methyl-1,2,3,7-tetrahydro-4H-3a,7-epoxyazulen-4-one
CID 12789271
1,2,3,7,8,8a-Hexahydro-6H-3a,7-epoxyazulen-6-one
CID 12789276
6-Methyl-6-(prop-1-en-2-yl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031663
6-(Prop-1-en-2-yl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031667
4-Methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 14315361

Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one?
The IUPAC name of 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one (CID 130036435) is 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one.
What is the SMILES notation for 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one?
The canonical SMILES for 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one is O=C1C=CC2CC3=CCCC13O2.
What is the InChIKey of 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one?
The InChIKey is LAXRPWMWEBNBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-4-3-8-6-7-2-1-5-10(7,9)12-8/h2-4,8H,1,5-6H2.
What are the key properties of 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one?
11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one has a molecular weight of 162.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one is sourced from PubChem (CID 130036435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).