8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one

C14H16O2 — CID 590321

IUPAC8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one
SMILESCC1(C)CCC2(O)c3ccccc3C(=O)C12
InChIInChI=1S/C14H16O2/c1-13(2)7-8-14(16)10-6-4-3-5-9(10)11(15)12(13)14/h3-6,12,16H,7-8H2,1-2H3
InChIKeyKPSSJGYJQAJDND-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds

About 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one

8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one (PubChem CID 590321) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one.

Molecular Properties

Compound Name8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one
PubChem CID590321
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one
SMILESCC1(C)CCC2(O)c3ccccc3C(=O)C12
InChIInChI=1S/C14H16O2/c1-13(2)7-8-14(16)10-6-4-3-5-9(10)11(15)12(13)14/h3-6,12,16H,7-8H2,1-2H3
InChIKeyKPSSJGYJQAJDND-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pterosin C
CID 186209
(2R,3S)-Pterosin C
CID 46850077
3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 5320782
3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-2,3-dihydro-1H-inden-1-one
CID 5320783
(3R)-2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1H-inden-1-one
CID 147559
Cylindrene
CID 190914
(2R,3R)-3-hydroxy-2-(hydroxymethyl)-2,5,6,7-tetramethyl-3H-inden-1-one
CID 118753097
3-Hydroxy-1-indanone
CID 176448
PHENINDIONE_met001
CID 74966460
(2R-trans)-2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one
CID 169729
3-Hydroxy-5-(2-hydroxyethyl)-2,4,6-trimethyl-2,3-dihydroinden-1-one
CID 162919983
(r)-3-Hydroxy-1-indanone
CID 10820702

Frequently Asked Questions

What is the IUPAC name of 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one?
The IUPAC name of 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one (CID 590321) is 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one.
What is the SMILES notation for 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one?
The canonical SMILES for 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one is CC1(C)CCC2(O)c3ccccc3C(=O)C12.
What is the InChIKey of 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one?
The InChIKey is KPSSJGYJQAJDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-13(2)7-8-14(16)10-6-4-3-5-9(10)11(15)12(13)14/h3-6,12,16H,7-8H2,1-2H3.
What are the key properties of 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one?
8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8b-hydroxy-3,3-dimethyl-2,3a-dihydro-1H-cyclopenta[b]inden-4-one is sourced from PubChem (CID 590321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).