actinium;2,3,3,5,5,6-hexamethyloxan-4-ol

C11H22AcO2 — CID 20705969

IUPACactinium;2,3,3,5,5,6-hexamethyloxan-4-ol
SMILESCC1OC(C)C(C)(C)C(O)C1(C)C.[Ac]
InChIInChI=1S/C11H22O2.Ac/c1-7-10(3,4)9(12)11(5,6)8(2)13-7;/h7-9,12H,1-6H3;
InChIKeyGBVIGWYGTWPYPR-UHFFFAOYSA-N
MW413.30 g/mol
LogP2.21
Rot. Bonds

About actinium;2,3,3,5,5,6-hexamethyloxan-4-ol

actinium;2,3,3,5,5,6-hexamethyloxan-4-ol (PubChem CID 20705969) has the molecular formula C11H22AcO2 and a molecular weight of 413.30 g/mol. Its IUPAC name is actinium;2,3,3,5,5,6-hexamethyloxan-4-ol.

Molecular Properties

Compound Nameactinium;2,3,3,5,5,6-hexamethyloxan-4-ol
PubChem CID20705969
Molecular FormulaC11H22AcO2
Molecular Weight413.30 g/mol
Exact Mass413.19
IUPAC Nameactinium;2,3,3,5,5,6-hexamethyloxan-4-ol
SMILESCC1OC(C)C(C)(C)C(O)C1(C)C.[Ac]
InChIInChI=1S/C11H22O2.Ac/c1-7-10(3,4)9(12)11(5,6)8(2)13-7;/h7-9,12H,1-6H3;
InChIKeyGBVIGWYGTWPYPR-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;2,3,3,5,5,6-hexamethyloxan-4-ol?
The IUPAC name of actinium;2,3,3,5,5,6-hexamethyloxan-4-ol (CID 20705969) is actinium;2,3,3,5,5,6-hexamethyloxan-4-ol.
What is the SMILES notation for actinium;2,3,3,5,5,6-hexamethyloxan-4-ol?
The canonical SMILES for actinium;2,3,3,5,5,6-hexamethyloxan-4-ol is CC1OC(C)C(C)(C)C(O)C1(C)C.[Ac].
What is the InChIKey of actinium;2,3,3,5,5,6-hexamethyloxan-4-ol?
The InChIKey is GBVIGWYGTWPYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.Ac/c1-7-10(3,4)9(12)11(5,6)8(2)13-7;/h7-9,12H,1-6H3;.
What are the key properties of actinium;2,3,3,5,5,6-hexamethyloxan-4-ol?
actinium;2,3,3,5,5,6-hexamethyloxan-4-ol has a molecular weight of 413.30 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2,3,3,5,5,6-hexamethyloxan-4-ol is sourced from PubChem (CID 20705969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).