actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

C16H30AcO3 — CID 23560901

IUPACactinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCO2)C1.[Ac]
InChIInChI=1S/C16H30O3.Ac/c1-3-12-9-13(4-2)14(10-12)11-15(17)5-6-16-18-7-8-19-16;/h12-17H,3-11H2,1-2H3;
InChIKeyIVABNTDNUVORBL-UHFFFAOYSA-N
MW497.41 g/mol
LogP3.35
Rot. Bonds7

About actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (PubChem CID 23560901) has the molecular formula C16H30AcO3 and a molecular weight of 497.41 g/mol. Its IUPAC name is actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Nameactinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
PubChem CID23560901
Molecular FormulaC16H30AcO3
Molecular Weight497.41 g/mol
Exact Mass497.25
IUPAC Nameactinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCO2)C1.[Ac]
InChIInChI=1S/C16H30O3.Ac/c1-3-12-9-13(4-2)14(10-12)11-15(17)5-6-16-18-7-8-19-16;/h12-17H,3-11H2,1-2H3;
InChIKeyIVABNTDNUVORBL-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (CID 23560901) is actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.
What is the SMILES notation for actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The canonical SMILES for actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is CCC1CC(CC)C(CC(O)CCC2OCCO2)C1.[Ac].
What is the InChIKey of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The InChIKey is IVABNTDNUVORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3.Ac/c1-3-12-9-13(4-2)14(10-12)11-15(17)5-6-16-18-7-8-19-16;/h12-17H,3-11H2,1-2H3;.
What are the key properties of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol has a molecular weight of 497.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is sourced from PubChem (CID 23560901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).