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

C15H26AcO3 — CID 23560906

IUPACactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESCC1C2CC(C(O)CCC3OCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C15H26O3.Ac/c1-9-10(2)12-7-11(9)8-13(12)14(16)3-4-15-17-5-6-18-15;/h9-16H,3-8H2,1-2H3;
InChIKeyNFAAKZLBYRMECF-UHFFFAOYSA-N
MW481.37 g/mol
LogP2.43
Rot. Bonds4

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

actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 23560906) has the molecular formula C15H26AcO3 and a molecular weight of 481.37 g/mol. Its IUPAC name is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
PubChem CID23560906
Molecular FormulaC15H26AcO3
Molecular Weight481.37 g/mol
Exact Mass481.22
IUPAC Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESCC1C2CC(C(O)CCC3OCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C15H26O3.Ac/c1-9-10(2)12-7-11(9)8-13(12)14(16)3-4-15-17-5-6-18-15;/h9-16H,3-8H2,1-2H3;
InChIKeyNFAAKZLBYRMECF-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-6-methanol
CID 361988
[3-(Diethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 12800688
2-[[3-(1,3-Dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol
CID 14254587
1-(2,4-Diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560888
Actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560889
1-(2,4-Diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
CID 23560894
Actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
CID 23560901
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560903
Actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560904
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560905
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-1-ol
CID 23560910

Frequently Asked Questions

What is the IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (CID 23560906) is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-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-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is CC1C2CC(C(O)CCC3OCCO3)C(C2)C1C.[Ac].
What is the InChIKey of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is NFAAKZLBYRMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3.Ac/c1-9-10(2)12-7-11(9)8-13(12)14(16)3-4-15-17-5-6-18-15;/h9-16H,3-8H2,1-2H3;.
What are the key properties of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 481.37 g/mol, XLogP of 2.43, 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-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 23560906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).