(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

C11H12O — CID 11389554

IUPAC(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
SMILESO=C1C[C@@H]2C=C[C@H]1[C@H]1C=CC[C@H]12
InChIInChI=1S/C11H12O/c12-11-6-7-4-5-10(11)9-3-1-2-8(7)9/h1,3-5,7-10H,2,6H2/t7-,8-,9-,10-/m0/s1
InChIKeyMBJXPZUXNNSSJM-XKNYDFJKSA-N
MW160.22 g/mol
LogP1.95
Rot. Bonds

About (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one (PubChem CID 11389554) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one.

Molecular Properties

Compound Name(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
PubChem CID11389554
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
SMILESO=C1C[C@@H]2C=C[C@H]1[C@H]1C=CC[C@H]12
InChIInChI=1S/C11H12O/c12-11-6-7-4-5-10(11)9-3-1-2-8(7)9/h1,3-5,7-10H,2,6H2/t7-,8-,9-,10-/m0/s1
InChIKeyMBJXPZUXNNSSJM-XKNYDFJKSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one with MolForge

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Related Compounds

tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
CID 130037715
(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
CID 102033792
bicyclo[2.2.0]hex-5-en-2-one
CID 139618189
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 98111802
nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 88698888
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173155873
(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
CID 10986171
formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173371153
(1S,2R,6S,7S)-tricyclo[5.3.2.02,6]dodeca-3,9,11-trien-8-one
CID 130754405
(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 124553090
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 4179838

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The IUPAC name of (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one (CID 11389554) is (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one.
What is the SMILES notation for (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The canonical SMILES for (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one is O=C1C[C@@H]2C=C[C@H]1[C@H]1C=CC[C@H]12.
What is the InChIKey of (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The InChIKey is MBJXPZUXNNSSJM-XKNYDFJKSA-N. The full InChI is InChI=1S/C11H12O/c12-11-6-7-4-5-10(11)9-3-1-2-8(7)9/h1,3-5,7-10H,2,6H2/t7-,8-,9-,10-/m0/s1.
What are the key properties of (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one has a molecular weight of 160.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one is sourced from PubChem (CID 11389554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).