(2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one

C16H26O3 — CID 134965154

IUPAC(2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one
SMILESCCO[C@H]1CC23CC(=O)CCC2(C)C(C)CCC3O1
InChIInChI=1S/C16H26O3/c1-4-18-14-10-16-9-12(17)7-8-15(16,3)11(2)5-6-13(16)19-14/h11,13-14H,4-10H2,1-3H3/t11?,13?,14-,15?,16?/m1/s1
InChIKeyIUHZSWXYLDNKJJ-RCDWCFMMSA-N
MW266.38 g/mol
LogP3.31
Rot. Bonds2

About (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one

(2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one (PubChem CID 134965154) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one
PubChem CID134965154
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one
SMILESCCO[C@H]1CC23CC(=O)CCC2(C)C(C)CCC3O1
InChIInChI=1S/C16H26O3/c1-4-18-14-10-16-9-12(17)7-8-15(16,3)11(2)5-6-13(16)19-14/h11,13-14H,4-10H2,1-3H3/t11?,13?,14-,15?,16?/m1/s1
InChIKeyIUHZSWXYLDNKJJ-RCDWCFMMSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one?
The IUPAC name of (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one (CID 134965154) is (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one.
What is the SMILES notation for (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one?
The canonical SMILES for (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one is CCO[C@H]1CC23CC(=O)CCC2(C)C(C)CCC3O1.
What is the InChIKey of (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one?
The InChIKey is IUHZSWXYLDNKJJ-RCDWCFMMSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-18-14-10-16-9-12(17)7-8-15(16,3)11(2)5-6-13(16)19-14/h11,13-14H,4-10H2,1-3H3/t11?,13?,14-,15?,16?/m1/s1.
What are the key properties of (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one?
(2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one has a molecular weight of 266.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-6,6a-dimethyl-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzofuran-9-one is sourced from PubChem (CID 134965154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).