actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol

C17H32AcO3 — CID 23560900

IUPACactinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C17H32O3.Ac/c1-3-13-10-14(4-2)15(11-13)12-16(18)6-7-17-19-8-5-9-20-17;/h13-18H,3-12H2,1-2H3;
InChIKeyCMXSOISPYOXKSS-UHFFFAOYSA-N
MW511.44 g/mol
LogP3.74
Rot. Bonds7

About actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol

actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol (PubChem CID 23560900) has the molecular formula C17H32AcO3 and a molecular weight of 511.44 g/mol. Its IUPAC name is actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol.

Molecular Properties

Compound Nameactinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
PubChem CID23560900
Molecular FormulaC17H32AcO3
Molecular Weight511.44 g/mol
Exact Mass511.26
IUPAC Nameactinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCCO2)C1.[Ac]
InChIInChI=1S/C17H32O3.Ac/c1-3-13-10-14(4-2)15(11-13)12-16(18)6-7-17-19-8-5-9-20-17;/h13-18H,3-12H2,1-2H3;
InChIKeyCMXSOISPYOXKSS-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 23560890
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CID 23560892

Frequently Asked Questions

What is the IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The IUPAC name of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol (CID 23560900) is actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol.
What is the SMILES notation for actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The canonical SMILES for actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol is CCC1CC(CC)C(CC(O)CCC2OCCCO2)C1.[Ac].
What is the InChIKey of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The InChIKey is CMXSOISPYOXKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3.Ac/c1-3-13-10-14(4-2)15(11-13)12-16(18)6-7-17-19-8-5-9-20-17;/h13-18H,3-12H2,1-2H3;.
What are the key properties of actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol has a molecular weight of 511.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol is sourced from PubChem (CID 23560900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).