trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one

C19H32O2Si — CID 139064822

IUPACtrans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1CCC(=O)[C@H]1[C@]1(O)CC[C@H]2C[C@H]([Si](C)(C)C)C[C@H]21
InChIInChI=1S/C19H32O2Si/c1-5-6-13-7-8-17(20)18(13)19(21)10-9-14-11-15(12-16(14)19)22(2,3)4/h5,13-16,18,21H,1,6-12H2,2-4H3/t13-,14+,15+,16-,18+,19+/m1/s1
InChIKeyKNCCNHAZFRSKKG-NBBHSKLNSA-N
MW320.55 g/mol
LogP4.42
Rot. Bonds4

About trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one

trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one (PubChem CID 139064822) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one
PubChem CID139064822
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametrans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1CCC(=O)[C@H]1[C@]1(O)CC[C@H]2C[C@H]([Si](C)(C)C)C[C@H]21
InChIInChI=1S/C19H32O2Si/c1-5-6-13-7-8-17(20)18(13)19(21)10-9-14-11-15(12-16(14)19)22(2,3)4/h5,13-16,18,21H,1,6-12H2,2-4H3/t13-,14+,15+,16-,18+,19+/m1/s1
InChIKeyKNCCNHAZFRSKKG-NBBHSKLNSA-N
XLogP4.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one?
The IUPAC name of trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one (CID 139064822) is trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one?
The canonical SMILES for trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one is C=CC[C@@H]1CCC(=O)[C@H]1[C@]1(O)CC[C@H]2C[C@H]([Si](C)(C)C)C[C@H]21.
What is the InChIKey of trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one?
The InChIKey is KNCCNHAZFRSKKG-NBBHSKLNSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-5-6-13-7-8-17(20)18(13)19(21)10-9-14-11-15(12-16(14)19)22(2,3)4/h5,13-16,18,21H,1,6-12H2,2-4H3/t13-,14+,15+,16-,18+,19+/m1/s1.
What are the key properties of trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one?
trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one has a molecular weight of 320.55 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-2-[(1S,3aS,5S,6aR)-1-hydroxy-5-trimethylsilyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl]-3-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 139064822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).