[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane

C20H42O4Si — CID 134974171

IUPAC[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane
SMILESCCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)OCC1OC
InChIInChI=1S/C20H42O4Si/c1-11-12-17(19-18(21-10)13-22-20(8,9)23-19)24-25(14(2)3,15(4)5)16(6)7/h14-19H,11-13H2,1-10H3/t17-,18?,19+/m1/s1
InChIKeyBTUQTJVUPZUGHF-KGNCLDLBSA-N
MW374.64 g/mol
LogP5.51
Rot. Bonds9

About [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane

[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane (PubChem CID 134974171) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane
PubChem CID134974171
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane
SMILESCCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)OCC1OC
InChIInChI=1S/C20H42O4Si/c1-11-12-17(19-18(21-10)13-22-20(8,9)23-19)24-25(14(2)3,15(4)5)16(6)7/h14-19H,11-13H2,1-10H3/t17-,18?,19+/m1/s1
InChIKeyBTUQTJVUPZUGHF-KGNCLDLBSA-N
XLogP5.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane (CID 134974171) is [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane is CCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)OCC1OC.
What is the InChIKey of [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane?
The InChIKey is BTUQTJVUPZUGHF-KGNCLDLBSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-11-12-17(19-18(21-10)13-22-20(8,9)23-19)24-25(14(2)3,15(4)5)16(6)7/h14-19H,11-13H2,1-10H3/t17-,18?,19+/m1/s1.
What are the key properties of [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane?
[(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane has a molecular weight of 374.64 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(4R)-5-methoxy-2,2-dimethyl-1,3-dioxan-4-yl]butoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134974171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).