actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol

C16H28AcO3 — CID 23560904

IUPACactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESCC1C2CC(C(O)CCC3OCCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C16H28O3.Ac/c1-10-11(2)13-8-12(10)9-14(13)15(17)4-5-16-18-6-3-7-19-16;/h10-17H,3-9H2,1-2H3;
InChIKeyPESRMEWXHAFPSV-UHFFFAOYSA-N
MW495.40 g/mol
LogP2.82
Rot. Bonds4

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

actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol (PubChem CID 23560904) 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)-3-(1,3-dioxan-2-yl)propan-1-ol.

Molecular Properties

Compound Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol
PubChem CID23560904
Molecular FormulaC16H28AcO3
Molecular Weight495.40 g/mol
Exact Mass495.23
IUPAC Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESCC1C2CC(C(O)CCC3OCCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C16H28O3.Ac/c1-10-11(2)13-8-12(10)9-14(13)15(17)4-5-16-18-6-3-7-19-16;/h10-17H,3-9H2,1-2H3;
InChIKeyPESRMEWXHAFPSV-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol (CID 23560904) is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol.
What is the SMILES notation for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The canonical SMILES for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol is CC1C2CC(C(O)CCC3OCCCO3)C(C2)C1C.[Ac].
What is the InChIKey of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The InChIKey is PESRMEWXHAFPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3.Ac/c1-10-11(2)13-8-12(10)9-14(13)15(17)4-5-16-18-6-3-7-19-16;/h10-17H,3-9H2,1-2H3;.
What are the key properties of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol has a molecular weight of 495.40 g/mol, XLogP of 2.82, 4 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)-3-(1,3-dioxan-2-yl)propan-1-ol is sourced from PubChem (CID 23560904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).