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

C10H14O2 — CID 11263701

IUPAC(7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESC[C@@]12CCCC1=CC(=O)C(O)C2
InChIInChI=1S/C10H14O2/c1-10-4-2-3-7(10)5-8(11)9(12)6-10/h5,9,12H,2-4,6H2,1H3/t9?,10-/m0/s1
InChIKeyQBDBTMIOUZPZDH-AXDSSHIGSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds

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

(7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (PubChem CID 11263701) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.

Molecular Properties

Compound Name(7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
PubChem CID11263701
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESC[C@@]12CCCC1=CC(=O)C(O)C2
InChIInChI=1S/C10H14O2/c1-10-4-2-3-7(10)5-8(11)9(12)6-10/h5,9,12H,2-4,6H2,1H3/t9?,10-/m0/s1
InChIKeyQBDBTMIOUZPZDH-AXDSSHIGSA-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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Related Compounds

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(3S,4R,4aR)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
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(3S,4S,4aS)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
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Enokipodin G
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Enokipodin H
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(1S,6R,11R,12S,15S)-11-hydroxy-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-10-one
CID 163036766

Frequently Asked Questions

What is the IUPAC name of (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The IUPAC name of (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (CID 11263701) is (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.
What is the SMILES notation for (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The canonical SMILES for (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is C[C@@]12CCCC1=CC(=O)C(O)C2.
What is the InChIKey of (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The InChIKey is QBDBTMIOUZPZDH-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H14O2/c1-10-4-2-3-7(10)5-8(11)9(12)6-10/h5,9,12H,2-4,6H2,1H3/t9?,10-/m0/s1.
What are the key properties of (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
(7aS)-6-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 (7aS)-6-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is sourced from PubChem (CID 11263701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).