(1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one

C12H14O2 — CID 11694051

IUPAC(1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one
SMILESCC1=C[C@H]2CC(=O)C3=C(C)CC[C@@]13O2
InChIInChI=1S/C12H14O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h5,9H,3-4,6H2,1-2H3/t9-,12+/m0/s1
InChIKeyRDNXFMZKHNNVLV-JOYOIKCWSA-N
MW190.24 g/mol
LogP2.15
Rot. Bonds

About (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one

(1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one (PubChem CID 11694051) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one.

Molecular Properties

Compound Name(1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one
PubChem CID11694051
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one
SMILESCC1=C[C@H]2CC(=O)C3=C(C)CC[C@@]13O2
InChIInChI=1S/C12H14O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h5,9H,3-4,6H2,1-2H3/t9-,12+/m0/s1
InChIKeyRDNXFMZKHNNVLV-JOYOIKCWSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one?
The IUPAC name of (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one (CID 11694051) is (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one.
What is the SMILES notation for (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one?
The canonical SMILES for (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one is CC1=C[C@H]2CC(=O)C3=C(C)CC[C@@]13O2.
What is the InChIKey of (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one?
The InChIKey is RDNXFMZKHNNVLV-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H14O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h5,9H,3-4,6H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one?
(1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one has a molecular weight of 190.24 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-4,10-dimethyl-11-oxatricyclo[6.2.1.01,5]undeca-4,9-dien-6-one is sourced from PubChem (CID 11694051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).