(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C13H14O2 — CID 71528122

IUPAC(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESCOc1ccc2c(c1)[C@@]1(C)C=C[C@]2(C)O1
InChIInChI=1S/C13H14O2/c1-12-6-7-13(2,15-12)11-8-9(14-3)4-5-10(11)12/h4-8H,1-3H3/t12-,13+/m0/s1
InChIKeyAYEJTNAEUYRSTN-QWHCGFSZSA-N
MW202.25 g/mol
LogP2.73
Rot. Bonds1

About (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 71528122) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID71528122
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESCOc1ccc2c(c1)[C@@]1(C)C=C[C@]2(C)O1
InChIInChI=1S/C13H14O2/c1-12-6-7-13(2,15-12)11-8-9(14-3)4-5-10(11)12/h4-8H,1-3H3/t12-,13+/m0/s1
InChIKeyAYEJTNAEUYRSTN-QWHCGFSZSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.73
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

3-bromo-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 85168471
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CID 165383709
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran
CID 166439561
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
CID 15162635
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
5-methoxy-3-(4-methoxyphenyl)-1,1,3-trimethyl-2H-indene
CID 624568
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 71528122) is (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is COc1ccc2c(c1)[C@@]1(C)C=C[C@]2(C)O1.
What is the InChIKey of (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is AYEJTNAEUYRSTN-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H14O2/c1-12-6-7-13(2,15-12)11-8-9(14-3)4-5-10(11)12/h4-8H,1-3H3/t12-,13+/m0/s1.
What are the key properties of (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 202.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 71528122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).