actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one

C12H20AcO2 — CID 59090545

IUPACactinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
SMILESC=CC[C@@H](C)[C@@H](O)[C@H]1C(=O)CCC1C.[Ac]
InChIInChI=1S/C12H20O2.Ac/c1-4-5-9(3)12(14)11-8(2)6-7-10(11)13;/h4,8-9,11-12,14H,1,5-7H2,2-3H3;/t8?,9-,11-,12-;/m1./s1
InChIKeyRJDXAFPNKOHOIH-KIMYKSCWSA-N
MW423.29 g/mol
LogP2.17
Rot. Bonds4

About actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one

actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one (PubChem CID 59090545) has the molecular formula C12H20AcO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one.

Molecular Properties

Compound Nameactinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
PubChem CID59090545
Molecular FormulaC12H20AcO2
Molecular Weight423.29 g/mol
Exact Mass423.17
IUPAC Nameactinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
SMILESC=CC[C@@H](C)[C@@H](O)[C@H]1C(=O)CCC1C.[Ac]
InChIInChI=1S/C12H20O2.Ac/c1-4-5-9(3)12(14)11-8(2)6-7-10(11)13;/h4,8-9,11-12,14H,1,5-7H2,2-3H3;/t8?,9-,11-,12-;/m1./s1
InChIKeyRJDXAFPNKOHOIH-KIMYKSCWSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one?
The IUPAC name of actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one (CID 59090545) is actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one.
What is the SMILES notation for actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one?
The canonical SMILES for actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one is C=CC[C@@H](C)[C@@H](O)[C@H]1C(=O)CCC1C.[Ac].
What is the InChIKey of actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one?
The InChIKey is RJDXAFPNKOHOIH-KIMYKSCWSA-N. The full InChI is InChI=1S/C12H20O2.Ac/c1-4-5-9(3)12(14)11-8(2)6-7-10(11)13;/h4,8-9,11-12,14H,1,5-7H2,2-3H3;/t8?,9-,11-,12-;/m1./s1.
What are the key properties of actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one?
actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one has a molecular weight of 423.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one is sourced from PubChem (CID 59090545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).