(2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one

C15H22O2 — CID 170989691

IUPAC(2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one
SMILESCC1(C)CC2=C(C1)[C@]1(C)C[C@H](O)C[C@]1(C)C2=O
InChIInChI=1S/C15H22O2/c1-13(2)7-10-11(8-13)14(3)5-9(16)6-15(14,4)12(10)17/h9,16H,5-8H2,1-4H3/t9-,14-,15+/m0/s1
InChIKeyDGZOFAYUJXLCTP-ULKVUYOBSA-N
MW234.34 g/mol
LogP2.85
Rot. Bonds

About (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one

(2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one (PubChem CID 170989691) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one
PubChem CID170989691
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one
SMILESCC1(C)CC2=C(C1)[C@]1(C)C[C@H](O)C[C@]1(C)C2=O
InChIInChI=1S/C15H22O2/c1-13(2)7-10-11(8-13)14(3)5-9(16)6-15(14,4)12(10)17/h9,16H,5-8H2,1-4H3/t9-,14-,15+/m0/s1
InChIKeyDGZOFAYUJXLCTP-ULKVUYOBSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-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

(1E)-1-(2,2,5,7,7-pentamethyl-1,3,5,6-tetrahydroinden-4-ylidene)propan-2-one
CID 154709492
2-(4,4-dimethyl-2,6-dioxocyclohexyl)sulfanyl-5,5-dimethylcyclohexane-1,3-dione
CID 12664449
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol
CID 10749891
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
CID 159016368
CID 159016368
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
1-chloro-2,2,5,5-tetramethylimidazolidin-4-one;1-chloro-2,2,6,6-tetramethylpiperidin-4-ol
CID 159838908
trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid
CID 97135622
(4S)-4-hydroxy-2,3,6,6-tetramethylcyclohex-2-en-1-one
CID 58913857
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413407

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one?
The IUPAC name of (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one (CID 170989691) is (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one.
What is the SMILES notation for (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one?
The canonical SMILES for (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one is CC1(C)CC2=C(C1)[C@]1(C)C[C@H](O)C[C@]1(C)C2=O.
What is the InChIKey of (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one?
The InChIKey is DGZOFAYUJXLCTP-ULKVUYOBSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)7-10-11(8-13)14(3)5-9(16)6-15(14,4)12(10)17/h9,16H,5-8H2,1-4H3/t9-,14-,15+/m0/s1.
What are the key properties of (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one?
(2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one has a molecular weight of 234.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-2-hydroxy-3a,5,5,7a-tetramethyl-2,3,4,6-tetrahydro-1H-cyclopenta[a]pentalen-7-one is sourced from PubChem (CID 170989691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).