actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

C16H28AcO3 — CID 23560918

IUPACactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESCC1C2CC(CC(O)CCC3OCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C16H28O3.Ac/c1-10-11(2)15-9-12(10)7-13(15)8-14(17)3-4-16-18-5-6-19-16;/h10-17H,3-9H2,1-2H3;
InChIKeyOANTUUICODCZLC-UHFFFAOYSA-N
MW495.40 g/mol
LogP2.82
Rot. Bonds5

About actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (PubChem CID 23560918) has the molecular formula C16H28AcO3 and a molecular weight of 495.40 g/mol. Its IUPAC name is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
PubChem CID23560918
Molecular FormulaC16H28AcO3
Molecular Weight495.40 g/mol
Exact Mass495.23
IUPAC Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESCC1C2CC(CC(O)CCC3OCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C16H28O3.Ac/c1-10-11(2)15-9-12(10)7-13(15)8-14(17)3-4-16-18-5-6-19-16;/h10-17H,3-9H2,1-2H3;
InChIKeyOANTUUICODCZLC-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (CID 23560918) is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.
What is the SMILES notation for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The canonical SMILES for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is CC1C2CC(CC(O)CCC3OCCO3)C(C2)C1C.[Ac].
What is the InChIKey of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The InChIKey is OANTUUICODCZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3.Ac/c1-10-11(2)15-9-12(10)7-13(15)8-14(17)3-4-16-18-5-6-19-16;/h10-17H,3-9H2,1-2H3;.
What are the key properties of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol has a molecular weight of 495.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is sourced from PubChem (CID 23560918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).