1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

C10H14O2 — CID 13033864

IUPAC1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESCC12CCC(=O)C=C1CCC2O
InChIInChI=1S/C10H14O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6,9,12H,2-5H2,1H3
InChIKeyVQOIXUDPFMOECD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds

About 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (PubChem CID 13033864) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.

Molecular Properties

Compound Name1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
PubChem CID13033864
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESCC12CCC(=O)C=C1CCC2O
InChIInChI=1S/C10H14O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6,9,12H,2-5H2,1H3
InChIKeyVQOIXUDPFMOECD-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The IUPAC name of 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (CID 13033864) is 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.
What is the SMILES notation for 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The canonical SMILES for 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is CC12CCC(=O)C=C1CCC2O.
What is the InChIKey of 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The InChIKey is VQOIXUDPFMOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6,9,12H,2-5H2,1H3.
What are the key properties of 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is sourced from PubChem (CID 13033864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).