actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol

C19H36AcO3 — CID 23560980

IUPACactinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol
SMILESCCC1CC(CC)C(CCCC(O)CCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C19H36O3.Ac/c1-3-15-13-16(4-2)17(14-15)7-5-8-18(20)9-10-19-21-11-6-12-22-19;/h15-20H,3-14H2,1-2H3;
InChIKeyOYIZZDZXRPJICV-UHFFFAOYSA-N
MW539.49 g/mol
LogP4.52
Rot. Bonds9

About actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol

actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol (PubChem CID 23560980) has the molecular formula C19H36AcO3 and a molecular weight of 539.49 g/mol. Its IUPAC name is actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol.

Molecular Properties

Compound Nameactinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol
PubChem CID23560980
Molecular FormulaC19H36AcO3
Molecular Weight539.49 g/mol
Exact Mass539.29
IUPAC Nameactinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol
SMILESCCC1CC(CC)C(CCCC(O)CCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C19H36O3.Ac/c1-3-15-13-16(4-2)17(14-15)7-5-8-18(20)9-10-19-21-11-6-12-22-19;/h15-20H,3-14H2,1-2H3;
InChIKeyOYIZZDZXRPJICV-UHFFFAOYSA-N
XLogP4.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol?
The IUPAC name of actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol (CID 23560980) is actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol.
What is the SMILES notation for actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol?
The canonical SMILES for actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol is CCC1CC(CC)C(CCCC(O)CCC2OCCCO2)C1.[Ac].
What is the InChIKey of actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol?
The InChIKey is OYIZZDZXRPJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3.Ac/c1-3-15-13-16(4-2)17(14-15)7-5-8-18(20)9-10-19-21-11-6-12-22-19;/h15-20H,3-14H2,1-2H3;.
What are the key properties of actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol?
actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol has a molecular weight of 539.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;6-(2,4-diethylcyclopentyl)-1-(1,3-dioxan-2-yl)hexan-3-ol is sourced from PubChem (CID 23560980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).