1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone

C11H18O2 — CID 15210262

IUPAC1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone
SMILESCC(=O)C12CCCCC1CC(O)C2
InChIInChI=1S/C11H18O2/c1-8(12)11-5-3-2-4-9(11)6-10(13)7-11/h9-10,13H,2-7H2,1H3
InChIKeyDZVXDDKTNNWVRA-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.91
Rot. Bonds1

About 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone

1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone (PubChem CID 15210262) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone
PubChem CID15210262
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone
SMILESCC(=O)C12CCCCC1CC(O)C2
InChIInChI=1S/C11H18O2/c1-8(12)11-5-3-2-4-9(11)6-10(13)7-11/h9-10,13H,2-7H2,1H3
InChIKeyDZVXDDKTNNWVRA-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone (CID 15210262) is 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone is CC(=O)C12CCCCC1CC(O)C2.
What is the InChIKey of 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone?
The InChIKey is DZVXDDKTNNWVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(12)11-5-3-2-4-9(11)6-10(13)7-11/h9-10,13H,2-7H2,1H3.
What are the key properties of 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone?
1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone has a molecular weight of 182.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone is sourced from PubChem (CID 15210262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).