(1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C11H14O2 — CID 129309288

IUPAC(1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC1(C)OC(=O)C2C1C1C=C[C@H]2C1
InChIInChI=1S/C11H14O2/c1-11(2)9-7-4-3-6(5-7)8(9)10(12)13-11/h3-4,6-9H,5H2,1-2H3/t6-,7?,8?,9?/m0/s1
InChIKeyRWVWXFNXAFQZPP-JUGFDQIVSA-N
MW178.23 g/mol
LogP1.76
Rot. Bonds

About (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 129309288) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID129309288
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC1(C)OC(=O)C2C1C1C=C[C@H]2C1
InChIInChI=1S/C11H14O2/c1-11(2)9-7-4-3-6(5-7)8(9)10(12)13-11/h3-4,6-9H,5H2,1-2H3/t6-,7?,8?,9?/m0/s1
InChIKeyRWVWXFNXAFQZPP-JUGFDQIVSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.76
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

(1R,2S,6R,7S)-5,5-diethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 13098266
(1S,2R,6S,7R)-spiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-5,4'-cyclopentene]-3-one
CID 101048367
(1S,2R,6S,7R)-spiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-5,5'-cycloheptene]-3-one
CID 101048368
5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 21049883
(1R,2S,6S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135037907
(5R)-5-hex-3-ynyl-5-(trifluoromethyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 122382900
ethane;methane;4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 159354457
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
4,5,12,12-tetramethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 20762822
(1S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11321038
(2S,6R)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 12006893

Frequently Asked Questions

What is the IUPAC name of (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 129309288) is (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is CC1(C)OC(=O)C2C1C1C=C[C@H]2C1.
What is the InChIKey of (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is RWVWXFNXAFQZPP-JUGFDQIVSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)9-7-4-3-6(5-7)8(9)10(12)13-11/h3-4,6-9H,5H2,1-2H3/t6-,7?,8?,9?/m0/s1.
What are the key properties of (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 129309288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).