actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol

C9H18AcO3 — CID 18716206

IUPACactinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
SMILESCCC1CC(CO)OC(C)(C)O1.[Ac]
InChIInChI=1S/C9H18O3.Ac/c1-4-7-5-8(6-10)12-9(2,3)11-7;/h7-8,10H,4-6H2,1-3H3;
InChIKeyZUUXYBIOLDIBCM-UHFFFAOYSA-N
MW401.24 g/mol
LogP1.30
Rot. Bonds2

About actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol

actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol (PubChem CID 18716206) has the molecular formula C9H18AcO3 and a molecular weight of 401.24 g/mol. Its IUPAC name is actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol.

Molecular Properties

Compound Nameactinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
PubChem CID18716206
Molecular FormulaC9H18AcO3
Molecular Weight401.24 g/mol
Exact Mass401.15
IUPAC Nameactinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
SMILESCCC1CC(CO)OC(C)(C)O1.[Ac]
InChIInChI=1S/C9H18O3.Ac/c1-4-7-5-8(6-10)12-9(2,3)11-7;/h7-8,10H,4-6H2,1-3H3;
InChIKeyZUUXYBIOLDIBCM-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol
CID 11344917
(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 15923819
(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
CID 59873114
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
(4R,6S)-4-tert-butyl-6-[[(4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 57409305
cyclopentyl 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 170902556
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478

Frequently Asked Questions

What is the IUPAC name of actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
The IUPAC name of actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol (CID 18716206) is actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol.
What is the SMILES notation for actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
The canonical SMILES for actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol is CCC1CC(CO)OC(C)(C)O1.[Ac].
What is the InChIKey of actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
The InChIKey is ZUUXYBIOLDIBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.Ac/c1-4-7-5-8(6-10)12-9(2,3)11-7;/h7-8,10H,4-6H2,1-3H3;.
What are the key properties of actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol has a molecular weight of 401.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol is sourced from PubChem (CID 18716206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).