(1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one

C10H14O2 — CID 70588534

IUPAC(1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one
SMILESCC1CC2=CC(=O)CCC2[C@@H]1O
InChIInChI=1S/C10H14O2/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h5-6,9-10,12H,2-4H2,1H3/t6?,9?,10-/m1/s1
InChIKeyOWCCHDBWYRZRJA-QKPUFMLISA-N
MW166.22 g/mol
LogP1.29
Rot. Bonds

About (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one

(1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one (PubChem CID 70588534) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one
PubChem CID70588534
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one
SMILESCC1CC2=CC(=O)CCC2[C@@H]1O
InChIInChI=1S/C10H14O2/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h5-6,9-10,12H,2-4H2,1H3/t6?,9?,10-/m1/s1
InChIKeyOWCCHDBWYRZRJA-QKPUFMLISA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one?
The IUPAC name of (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one (CID 70588534) is (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one.
What is the SMILES notation for (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one?
The canonical SMILES for (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one is CC1CC2=CC(=O)CCC2[C@@H]1O.
What is the InChIKey of (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one?
The InChIKey is OWCCHDBWYRZRJA-QKPUFMLISA-N. The full InChI is InChI=1S/C10H14O2/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h5-6,9-10,12H,2-4H2,1H3/t6?,9?,10-/m1/s1.
What are the key properties of (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one?
(1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-2-methyl-1,2,3,6,7,7a-hexahydroinden-5-one is sourced from PubChem (CID 70588534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).