(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one

C14H18O3Si — CID 164671487

IUPAC(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESC[Si](C)(c1ccccc1)[C@H]1CC(=O)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C14H18O3Si/c1-18(2,10-6-4-3-5-7-10)13-8-11(15)14-16-9-12(13)17-14/h3-7,12-14H,8-9H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyNLHVMQCKTPTLLO-HZSPNIEDSA-N
MW262.38 g/mol
LogP1.69
Rot. Bonds2

About (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one

(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one (PubChem CID 164671487) has the molecular formula C14H18O3Si and a molecular weight of 262.38 g/mol. Its IUPAC name is (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one.

Molecular Properties

Compound Name(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
PubChem CID164671487
Molecular FormulaC14H18O3Si
Molecular Weight262.38 g/mol
Exact Mass262.10
IUPAC Name(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESC[Si](C)(c1ccccc1)[C@H]1CC(=O)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C14H18O3Si/c1-18(2,10-6-4-3-5-7-10)13-8-11(15)14-16-9-12(13)17-14/h3-7,12-14H,8-9H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyNLHVMQCKTPTLLO-HZSPNIEDSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one;toluene
CID 142549099

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one?
The IUPAC name of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one (CID 164671487) is (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one.
What is the SMILES notation for (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one?
The canonical SMILES for (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one is C[Si](C)(c1ccccc1)[C@H]1CC(=O)[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one?
The InChIKey is NLHVMQCKTPTLLO-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H18O3Si/c1-18(2,10-6-4-3-5-7-10)13-8-11(15)14-16-9-12(13)17-14/h3-7,12-14H,8-9H2,1-2H3/t12-,13+,14-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one?
(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one has a molecular weight of 262.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6,8-dioxabicyclo[3.2.1]octan-4-one is sourced from PubChem (CID 164671487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).