[(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane

C20H34O2Sn2 — CID 23660978

IUPAC[(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
SMILESCC1(C)COC2(OC1)[C@H]([Sn](C)(C)C)[C@]2(c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C14H16O2.6CH3.2Sn/c1-13(2)9-15-14(16-10-13)8-12(14)11-6-4-3-5-7-11;;;;;;;;/h3-8H,9-10H2,1-2H3;6*1H3;;
InChIKeyVHGXTZOHEFJSLX-UHFFFAOYSA-N
MW543.91 g/mol
LogP5.29
Rot. Bonds3

About [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane

[(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane (PubChem CID 23660978) has the molecular formula C20H34O2Sn2 and a molecular weight of 543.91 g/mol. Its IUPAC name is [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
PubChem CID23660978
Molecular FormulaC20H34O2Sn2
Molecular Weight543.91 g/mol
Exact Mass546.06
IUPAC Name[(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
SMILESCC1(C)COC2(OC1)[C@H]([Sn](C)(C)C)[C@]2(c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C14H16O2.6CH3.2Sn/c1-13(2)9-15-14(16-10-13)8-12(14)11-6-4-3-5-7-11;;;;;;;;/h3-8H,9-10H2,1-2H3;6*1H3;;
InChIKeyVHGXTZOHEFJSLX-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.91
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
The IUPAC name of [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane (CID 23660978) is [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane.
What is the SMILES notation for [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
The canonical SMILES for [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane is CC1(C)COC2(OC1)[C@H]([Sn](C)(C)C)[C@]2(c1ccccc1)[Sn](C)(C)C.
What is the InChIKey of [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
The InChIKey is VHGXTZOHEFJSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2.6CH3.2Sn/c1-13(2)9-15-14(16-10-13)8-12(14)11-6-4-3-5-7-11;;;;;;;;/h3-8H,9-10H2,1-2H3;6*1H3;;.
What are the key properties of [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
[(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane has a molecular weight of 543.91 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-6,6-dimethyl-2-phenyl-1-trimethylstannyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane is sourced from PubChem (CID 23660978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).