(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C9H10O2 — CID 11286562

IUPAC(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1OC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-8H,3-4H2/t5-,6+,7-,8+/m1/s1
InChIKeyWOJWXGGCIZZKFQ-CWKFCGSDSA-N
MW150.18 g/mol
LogP0.98
Rot. Bonds

About (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11286562) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11286562
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1OC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-8H,3-4H2/t5-,6+,7-,8+/m1/s1
InChIKeyWOJWXGGCIZZKFQ-CWKFCGSDSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one with MolForge

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Related Compounds

826-62-0
CID 13223
Methyl nadic anhydride
CID 32802
Carbic anhydride
CID 2723766
Ethyl 5-norbornene-2-carboxylate
CID 24986
Himic anhydride
CID 637794
Dimethyl carbate
CID 10921747
Dimethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 38295
Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
CID 121232748
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CID 131866362

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11286562) is (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1OC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is WOJWXGGCIZZKFQ-CWKFCGSDSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-8H,3-4H2/t5-,6+,7-,8+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 150.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11286562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).