(1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one

C15H22O2 — CID 139256627

IUPAC(1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one
SMILESCC(C)[C@@]12C=C[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1C2=O
InChIInChI=1S/C15H22O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h7-12H,5-6H2,1-4H3/t10-,11-,12-,14-,15-/m1/s1
InChIKeyCFWPMYWRGLXPBU-URFZWBKFSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds1

About (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one

(1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one (PubChem CID 139256627) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one.

Molecular Properties

Compound Name(1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one
PubChem CID139256627
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one
SMILESCC(C)[C@@]12C=C[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1C2=O
InChIInChI=1S/C15H22O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h7-12H,5-6H2,1-4H3/t10-,11-,12-,14-,15-/m1/s1
InChIKeyCFWPMYWRGLXPBU-URFZWBKFSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-4-one
CID 53253487
(1S,2S,8S)-5,8-dimethyl-1-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-4-one
CID 53253488
(1S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-one
CID 135041803
(1S,2S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-one
CID 135041862
(1R,2R,8S)-1-methyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-one
CID 139256626
(1R,2R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-4-one
CID 139256631

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one?
The IUPAC name of (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one (CID 139256627) is (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one.
What is the SMILES notation for (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one?
The canonical SMILES for (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one is CC(C)[C@@]12C=C[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1C2=O.
What is the InChIKey of (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one?
The InChIKey is CFWPMYWRGLXPBU-URFZWBKFSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h7-12H,5-6H2,1-4H3/t10-,11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one?
(1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one has a molecular weight of 234.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-9-en-7-one is sourced from PubChem (CID 139256627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).