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

C17H32AcO3 — CID 23560899

IUPACactinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCCC2OCCO2)C1.[Ac]
InChIInChI=1S/C17H32O3.Ac/c1-3-13-11-14(4-2)15(12-13)16(18)7-5-6-8-17-19-9-10-20-17;/h13-18H,3-12H2,1-2H3;
InChIKeyNJPXDRYNJHJCTP-UHFFFAOYSA-N
MW511.44 g/mol
LogP3.74
Rot. Bonds8

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

actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (PubChem CID 23560899) has the molecular formula C17H32AcO3 and a molecular weight of 511.44 g/mol. Its IUPAC name is actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Nameactinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
PubChem CID23560899
Molecular FormulaC17H32AcO3
Molecular Weight511.44 g/mol
Exact Mass511.26
IUPAC Nameactinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCCC2OCCO2)C1.[Ac]
InChIInChI=1S/C17H32O3.Ac/c1-3-13-11-14(4-2)15(12-13)16(18)7-5-6-8-17-19-9-10-20-17;/h13-18H,3-12H2,1-2H3;
InChIKeyNJPXDRYNJHJCTP-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.44
LogP ≤ 53.74
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

(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol
CID 42601253
3-[2-[2-(1,1-Difluoroheptyl)-1,3-dioxolan-2-yl]ethyl]-2-methylcyclopentan-1-ol
CID 142123062
2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
(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
4-[2-Ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 21339165
2-(7,7-Diethoxyheptyl)-3-hexylcyclopentan-1-ol
CID 23220321
Actinium;1-(2,4-diethyl-1-methylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-1-ol
CID 23399635
1-(2,4-Diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23399637
Actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol
CID 23399638

Frequently Asked Questions

What is the IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (CID 23560899) is actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.
What is the SMILES notation for actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The canonical SMILES for actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol is CCC1CC(CC)C(C(O)CCCCC2OCCO2)C1.[Ac].
What is the InChIKey of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The InChIKey is NJPXDRYNJHJCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3.Ac/c1-3-13-11-14(4-2)15(12-13)16(18)7-5-6-8-17-19-9-10-20-17;/h13-18H,3-12H2,1-2H3;.
What are the key properties of actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol has a molecular weight of 511.44 g/mol, XLogP of 3.74, 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-dioxolan-2-yl)pentan-1-ol is sourced from PubChem (CID 23560899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).