[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

C20H34O3Si — CID 16688961

IUPAC[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1CCO[C@H](c2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C20H34O3Si/c1-15(2)24(16(3)4,17(5)6)22-14-19-12-13-21-20(23-19)18-10-8-7-9-11-18/h7-11,15-17,19-20H,12-14H2,1-6H3/t19-,20-/m0/s1
InChIKeyRBKRFXLMJIAPGM-PMACEKPBSA-N
MW350.57 g/mol
LogP5.68
Rot. Bonds7

About [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 16688961) has the molecular formula C20H34O3Si and a molecular weight of 350.57 g/mol. Its IUPAC name is [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID16688961
Molecular FormulaC20H34O3Si
Molecular Weight350.57 g/mol
Exact Mass350.23
IUPAC Name[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1CCO[C@H](c2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C20H34O3Si/c1-15(2)24(16(3)4,17(5)6)22-14-19-12-13-21-20(23-19)18-10-8-7-9-11-18/h7-11,15-17,19-20H,12-14H2,1-6H3/t19-,20-/m0/s1
InChIKeyRBKRFXLMJIAPGM-PMACEKPBSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.68
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

4-(oxiran-2-ylmethoxymethyl)-2-phenyl-1,3-dioxane
CID 163610147
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
CID 58287035
2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 53306707
2-[(2R,4S)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 71456971
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine
CID 53421244
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
CID 53421243
4-(2-phenyl-1,3-dioxan-4-yl)butan-2-one
CID 134360383
ethyl 3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propanoate
CID 53306704
(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane
CID 88986088
(4S)-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 15673073
tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane
CID 134841074

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (CID 16688961) is [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1CCO[C@H](c2ccccc2)O1)(C(C)C)C(C)C.
What is the InChIKey of [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is RBKRFXLMJIAPGM-PMACEKPBSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-15(2)24(16(3)4,17(5)6)22-14-19-12-13-21-20(23-19)18-10-8-7-9-11-18/h7-11,15-17,19-20H,12-14H2,1-6H3/t19-,20-/m0/s1.
What are the key properties of [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 350.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 16688961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).