actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol

C19H36AcO3 — CID 23399638

IUPACactinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol
SMILESCCC1CC(CC)C(C)(CCCC(O)CCC2OCCO2)C1.[Ac]
InChIInChI=1S/C19H36O3.Ac/c1-4-15-13-16(5-2)19(3,14-15)10-6-7-17(20)8-9-18-21-11-12-22-18;/h15-18,20H,4-14H2,1-3H3;
InChIKeyATWCULHYYAXUMS-UHFFFAOYSA-N
MW539.49 g/mol
LogP4.52
Rot. Bonds9

About actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol

actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol (PubChem CID 23399638) has the molecular formula C19H36AcO3 and a molecular weight of 539.49 g/mol. Its IUPAC name is actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Nameactinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol
PubChem CID23399638
Molecular FormulaC19H36AcO3
Molecular Weight539.49 g/mol
Exact Mass539.29
IUPAC Nameactinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol
SMILESCCC1CC(CC)C(C)(CCCC(O)CCC2OCCO2)C1.[Ac]
InChIInChI=1S/C19H36O3.Ac/c1-4-15-13-16(5-2)19(3,14-15)10-6-7-17(20)8-9-18-21-11-12-22-18;/h15-18,20H,4-14H2,1-3H3;
InChIKeyATWCULHYYAXUMS-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

Analyze actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710084
(2R)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710088
(1r,3r,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143308
(1r,3r,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143309
(1r,3s,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143310
(1r,3s,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143311
(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
CID 134878043
(1'R,3'aR,9'R,9'aR)-1',8',8'-trimethylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7,9,9a-octahydro-1H-cyclopenta[8]annulene]-9'-ol
CID 139057880
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137
5-(1,3-Dioxolan-2-yl)-2,2,6-trimethylheptan-3-ol
CID 101850531
4-[3-(2,3-dimethylbutan-2-yl)octyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328906
1-(2,4-Diethyl-1-methylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23399634

Frequently Asked Questions

What is the IUPAC name of actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol?
The IUPAC name of actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol (CID 23399638) is actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol.
What is the SMILES notation for actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol?
The canonical SMILES for actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol is CCC1CC(CC)C(C)(CCCC(O)CCC2OCCO2)C1.[Ac].
What is the InChIKey of actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol?
The InChIKey is ATWCULHYYAXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3.Ac/c1-4-15-13-16(5-2)19(3,14-15)10-6-7-17(20)8-9-18-21-11-12-22-18;/h15-18,20H,4-14H2,1-3H3;.
What are the key properties of actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol?
actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-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-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 23399638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).