actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone

C10H18AcO4 — CID 23384988

IUPACactinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone
SMILESCC(=O)C1CC(CO)C(C(O)CO)C1.[Ac]
InChIInChI=1S/C10H18O4.Ac/c1-6(13)7-2-8(4-11)9(3-7)10(14)5-12;/h7-12,14H,2-5H2,1H3;
InChIKeyMSRGXSKWDXGPFT-UHFFFAOYSA-N
MW429.25 g/mol
LogP-0.44
Rot. Bonds4

About actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone

actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone (PubChem CID 23384988) has the molecular formula C10H18AcO4 and a molecular weight of 429.25 g/mol. Its IUPAC name is actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone.

Molecular Properties

Compound Nameactinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone
PubChem CID23384988
Molecular FormulaC10H18AcO4
Molecular Weight429.25 g/mol
Exact Mass429.15
IUPAC Nameactinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone
SMILESCC(=O)C1CC(CO)C(C(O)CO)C1.[Ac]
InChIInChI=1S/C10H18O4.Ac/c1-6(13)7-2-8(4-11)9(3-7)10(14)5-12;/h7-12,14H,2-5H2,1H3;
InChIKeyMSRGXSKWDXGPFT-UHFFFAOYSA-N
XLogP-0.44
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone?
The IUPAC name of actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone (CID 23384988) is actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone.
What is the SMILES notation for actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone?
The canonical SMILES for actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone is CC(=O)C1CC(CO)C(C(O)CO)C1.[Ac].
What is the InChIKey of actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone?
The InChIKey is MSRGXSKWDXGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Ac/c1-6(13)7-2-8(4-11)9(3-7)10(14)5-12;/h7-12,14H,2-5H2,1H3;.
What are the key properties of actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone?
actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone has a molecular weight of 429.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-[3-(1,2-dihydroxyethyl)-4-(hydroxymethyl)cyclopentyl]ethanone is sourced from PubChem (CID 23384988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).