2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one

C15H22O2 — CID 162815677

IUPAC2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
SMILESCC1=C2C(O)CC2(C)C2CC(C)(C)CC2C1=O
InChIInChI=1S/C15H22O2/c1-8-12-11(16)7-15(12,4)10-6-14(2,3)5-9(10)13(8)17/h9-11,16H,5-7H2,1-4H3
InChIKeyFLTXABKFGFSQRI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds

About 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one

2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one (PubChem CID 162815677) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one.

Molecular Properties

Compound Name2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
PubChem CID162815677
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
SMILESCC1=C2C(O)CC2(C)C2CC(C)(C)CC2C1=O
InChIInChI=1S/C15H22O2/c1-8-12-11(16)7-15(12,4)10-6-14(2,3)5-9(10)13(8)17/h9-11,16H,5-7H2,1-4H3
InChIKeyFLTXABKFGFSQRI-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aS)-2,3,5,5-tetramethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 11137697
(3aS,7R,7aR)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3,3a,7a-tetrahydroinden-4-one
CID 162860457
(3aS,7S,7aR)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3,3a,7a-tetrahydroinden-4-one
CID 162860458
(3aS,6aR)-3,5,5-trimethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 101187822
5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
CID 534047
(4S)-4-hydroxy-2,3,6,6-tetramethylcyclohex-2-en-1-one
CID 58913857
(3aR,7aR)-2,2,7-trimethyl-3,3a,4,7a-tetrahydro-1H-inden-5-one
CID 11401100
3-ethynyl-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one
CID 85377420
(2R,4aR,7aR,7bR)-3,6,6,7b-tetramethyl-1,2,4,5,7,7a-hexahydrocyclobuta[g]indene-2,4a-diol
CID 170989594
(1aS,4aS,6R,7aR,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-6-ol
CID 162968973
5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
CID 3860435
6-hydroxy-2,4,4-trimethyl-3-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
CID 143126972

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
The IUPAC name of 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one (CID 162815677) is 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one.
What is the SMILES notation for 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
The canonical SMILES for 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one is CC1=C2C(O)CC2(C)C2CC(C)(C)CC2C1=O.
What is the InChIKey of 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
The InChIKey is FLTXABKFGFSQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-12-11(16)7-15(12,4)10-6-14(2,3)5-9(10)13(8)17/h9-11,16H,5-7H2,1-4H3.
What are the key properties of 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one is sourced from PubChem (CID 162815677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).