(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

C14H18O2 — CID 10911019

IUPAC(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
SMILESCO[C@]12C=C[C@H]([C@@H]3CC=C[C@@H]31)C(C)(C)C2=O
InChIInChI=1S/C14H18O2/c1-13(2)10-7-8-14(16-3,12(13)15)11-6-4-5-9(10)11/h4,6-11H,5H2,1-3H3/t9-,10+,11-,14+/m0/s1
InChIKeyRVSNEOWYOWSUNN-BBGACYKPSA-N
MW218.30 g/mol
LogP2.36
Rot. Bonds1

About (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one (PubChem CID 10911019) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one.

Molecular Properties

Compound Name(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
PubChem CID10911019
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
SMILESCO[C@]12C=C[C@H]([C@@H]3CC=C[C@@H]31)C(C)(C)C2=O
InChIInChI=1S/C14H18O2/c1-13(2)10-7-8-14(16-3,12(13)15)11-6-4-5-9(10)11/h4,6-11H,5H2,1-3H3/t9-,10+,11-,14+/m0/s1
InChIKeyRVSNEOWYOWSUNN-BBGACYKPSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 377227
(1S,4S,8R)-8-methoxy-1,8-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 10487616
(1S,4S,8S)-8-methoxy-1,8-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 10678938
8-Methoxy-1,8-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 15628274
11'-Methylspiro[oxirane-2,8'-tricyclo[5.2.2.01,5]undeca-3,10-diene]-9'-one
CID 135022992
1',10'-Dimethylspiro[oxirane-2,9'-tricyclo[5.2.2.02,6]undeca-4,10-diene]-8'-one
CID 135038838
7-Methoxytricyclo[5.2.2.01,5]undec-5-en-8-one
CID 14270735
3-(Cyclohexen-1-yl)-2-methoxy-4a,5-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
CID 58587091
(1R,7S)-7-methoxy-2-methyltricyclo[5.2.2.01,5]undec-5-en-8-one
CID 10058817
(1'S,2R,2'R,6'S,7'R)-1',11'-dimethylspiro[oxirane-2,9'-tricyclo[5.2.2.02,6]undeca-4,10-diene]-8'-one
CID 10488913
(1R,2S,6S,7R)-1-methoxy-8,8-dimethyltricyclo[5.2.2.02,6]undeca-4,10-diene-3,9-dione
CID 10513739
(1R,2S,6S,7R)-3-hydroxy-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 10513853

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The IUPAC name of (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one (CID 10911019) is (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one.
What is the SMILES notation for (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The canonical SMILES for (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one is CO[C@]12C=C[C@H]([C@@H]3CC=C[C@@H]31)C(C)(C)C2=O.
What is the InChIKey of (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The InChIKey is RVSNEOWYOWSUNN-BBGACYKPSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(2)10-7-8-14(16-3,12(13)15)11-6-4-5-9(10)11/h4,6-11H,5H2,1-3H3/t9-,10+,11-,14+/m0/s1.
What are the key properties of (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one has a molecular weight of 218.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one is sourced from PubChem (CID 10911019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).