actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol

C13H20AcO3 — CID 23560921

IUPACactinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESOC(CCC1OCCO1)C1CC2C=CC1C2.[Ac]
InChIInChI=1S/C13H20O3.Ac/c14-12(3-4-13-15-5-6-16-13)11-8-9-1-2-10(11)7-9;/h1-2,9-14H,3-8H2;
InChIKeyGOUJFYHNMHOVIP-UHFFFAOYSA-N
MW451.30 g/mol
LogP1.71
Rot. Bonds4

About actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol

actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 23560921) has the molecular formula C13H20AcO3 and a molecular weight of 451.30 g/mol. Its IUPAC name is actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Nameactinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
PubChem CID23560921
Molecular FormulaC13H20AcO3
Molecular Weight451.30 g/mol
Exact Mass451.17
IUPAC Nameactinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESOC(CCC1OCCO1)C1CC2C=CC1C2.[Ac]
InChIInChI=1S/C13H20O3.Ac/c14-12(3-4-13-15-5-6-16-13)11-8-9-1-2-10(11)7-9;/h1-2,9-14H,3-8H2;
InChIKeyGOUJFYHNMHOVIP-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (CID 23560921) is actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is OC(CCC1OCCO1)C1CC2C=CC1C2.[Ac].
What is the InChIKey of actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is GOUJFYHNMHOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3.Ac/c14-12(3-4-13-15-5-6-16-13)11-8-9-1-2-10(11)7-9;/h1-2,9-14H,3-8H2;.
What are the key properties of actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 451.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 23560921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).