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

C16H30AcO3 — CID 23560887

IUPACactinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESCCC1CC(CC)C(C(O)CCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C16H30O3.Ac/c1-3-12-10-13(4-2)14(11-12)15(17)6-7-16-18-8-5-9-19-16;/h12-17H,3-11H2,1-2H3;
InChIKeyQWJHEXLVIUHQQL-UHFFFAOYSA-N
MW497.41 g/mol
LogP3.35
Rot. Bonds6

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

actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol (PubChem CID 23560887) has the molecular formula C16H30AcO3 and a molecular weight of 497.41 g/mol. Its IUPAC name is actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol.

Molecular Properties

Compound Nameactinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
PubChem CID23560887
Molecular FormulaC16H30AcO3
Molecular Weight497.41 g/mol
Exact Mass497.25
IUPAC Nameactinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESCCC1CC(CC)C(C(O)CCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C16H30O3.Ac/c1-3-12-10-13(4-2)14(11-12)15(17)6-7-16-18-8-5-9-19-16;/h12-17H,3-11H2,1-2H3;
InChIKeyQWJHEXLVIUHQQL-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560890
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891
2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
CID 23560934
2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
CID 23560940
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
CID 23560936
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
CID 97293246
(1S)-1-(3,4-dimethylphenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293235
(1S)-1-(4-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293209

Frequently Asked Questions

What is the IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol (CID 23560887) is actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol.
What is the SMILES notation for actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The canonical SMILES for actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol is CCC1CC(CC)C(C(O)CCC2OCCCO2)C1.[Ac].
What is the InChIKey of actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The InChIKey is QWJHEXLVIUHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3.Ac/c1-3-12-10-13(4-2)14(11-12)15(17)6-7-16-18-8-5-9-19-16;/h12-17H,3-11H2,1-2H3;.
What are the key properties of actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol has a molecular weight of 497.41 g/mol, XLogP of 3.35, 6 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)-3-(1,3-dioxan-2-yl)propan-1-ol is sourced from PubChem (CID 23560887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).