actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol

C18H34AcO3 — CID 23560897

IUPACactinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C18H34O3.Ac/c1-3-14-12-15(4-2)16(13-14)17(19)8-5-6-9-18-20-10-7-11-21-18;/h14-19H,3-13H2,1-2H3;
InChIKeyNJKAUPODYJEMAA-UHFFFAOYSA-N
MW525.47 g/mol
LogP4.13
Rot. Bonds8

About actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol

actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol (PubChem CID 23560897) has the molecular formula C18H34AcO3 and a molecular weight of 525.47 g/mol. Its IUPAC name is actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol.

Molecular Properties

Compound Nameactinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol
PubChem CID23560897
Molecular FormulaC18H34AcO3
Molecular Weight525.47 g/mol
Exact Mass525.28
IUPAC Nameactinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C18H34O3.Ac/c1-3-14-12-15(4-2)16(13-14)17(19)8-5-6-9-18-20-10-7-11-21-18;/h14-19H,3-13H2,1-2H3;
InChIKeyNJKAUPODYJEMAA-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R)-3-(4,4-difluoro-3-hydroxyoctyl)-2-[4-(1,3-dioxan-2-yl)butyl]cyclopentan-1-ol
CID 71248655
2,6-Diheptyl-5-hexyl-1,3-dioxan-4-ol
CID 20365111
2-(7,7-Diethoxyheptyl)-3-hexylcyclopentan-1-ol
CID 23220321
1-(2,4-Diethyl-1-methylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23399634
1-(2,4-Diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23399637
1-(2,4-Diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560886
Actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
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
Actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560892
1-(2,4-Diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
CID 23560894
1-(2,4-Diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol
CID 23560896

Frequently Asked Questions

What is the IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol?
The IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol (CID 23560897) is actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol.
What is the SMILES notation for actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol?
The canonical SMILES for actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol is CCC1CC(CC)C(C(O)CCCCC2OCCCO2)C1.[Ac].
What is the InChIKey of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol?
The InChIKey is NJKAUPODYJEMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3.Ac/c1-3-14-12-15(4-2)16(13-14)17(19)8-5-6-9-18-20-10-7-11-21-18;/h14-19H,3-13H2,1-2H3;.
What are the key properties of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol?
actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol has a molecular weight of 525.47 g/mol, XLogP of 4.13, 8 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)-5-(1,3-dioxan-2-yl)pentan-1-ol is sourced from PubChem (CID 23560897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).