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

C17H30AcO3 — CID 23560916

IUPACactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCC1C2CC(C(O)CCCCC3OCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C17H30O3.Ac/c1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-4-6-17-19-7-8-20-17;/h11-18H,3-10H2,1-2H3;
InChIKeyPXCXUJNEQYVXLM-UHFFFAOYSA-N
MW509.42 g/mol
LogP3.21
Rot. Bonds6

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

actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (PubChem CID 23560916) has the molecular formula C17H30AcO3 and a molecular weight of 509.42 g/mol. Its IUPAC name is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
PubChem CID23560916
Molecular FormulaC17H30AcO3
Molecular Weight509.42 g/mol
Exact Mass509.25
IUPAC Nameactinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCC1C2CC(C(O)CCCCC3OCCO3)C(C2)C1C.[Ac]
InChIInChI=1S/C17H30O3.Ac/c1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-4-6-17-19-7-8-20-17;/h11-18H,3-10H2,1-2H3;
InChIKeyPXCXUJNEQYVXLM-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

[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
1-(2,4-Diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560898
Actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560899
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
Actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560906

Frequently Asked Questions

What is the IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The IUPAC name of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (CID 23560916) is actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.
What is the SMILES notation for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The canonical SMILES for actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol is CC1C2CC(C(O)CCCCC3OCCO3)C(C2)C1C.[Ac].
What is the InChIKey of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The InChIKey is PXCXUJNEQYVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3.Ac/c1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-4-6-17-19-7-8-20-17;/h11-18H,3-10H2,1-2H3;.
What are the key properties of actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol has a molecular weight of 509.42 g/mol, XLogP of 3.21, 6 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)-5-(1,3-dioxolan-2-yl)pentan-1-ol is sourced from PubChem (CID 23560916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).