(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane

C19H38O2Si — CID 10734932

IUPAC(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane
SMILESC=C(CC)C[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@H](C)[C@H]1CC
InChIInChI=1S/C19H38O2Si/c1-11-14(3)13-17-16(12-2)15(4)20-22(21-17,18(5,6)7)19(8,9)10/h15-17H,3,11-13H2,1-2,4-10H3/t15-,16-,17-/m1/s1
InChIKeyGEIJKOKZYVUKSD-BRWVUGGUSA-N
MW326.60 g/mol
LogP6.22
Rot. Bonds4

About (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane

(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane (PubChem CID 10734932) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane
PubChem CID10734932
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane
SMILESC=C(CC)C[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@H](C)[C@H]1CC
InChIInChI=1S/C19H38O2Si/c1-11-14(3)13-17-16(12-2)15(4)20-22(21-17,18(5,6)7)19(8,9)10/h15-17H,3,11-13H2,1-2,4-10H3/t15-,16-,17-/m1/s1
InChIKeyGEIJKOKZYVUKSD-BRWVUGGUSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane?
The IUPAC name of (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane (CID 10734932) is (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane.
What is the SMILES notation for (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane?
The canonical SMILES for (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane is C=C(CC)C[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)O[C@H](C)[C@H]1CC.
What is the InChIKey of (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane?
The InChIKey is GEIJKOKZYVUKSD-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-11-14(3)13-17-16(12-2)15(4)20-22(21-17,18(5,6)7)19(8,9)10/h15-17H,3,11-13H2,1-2,4-10H3/t15-,16-,17-/m1/s1.
What are the key properties of (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane?
(4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane has a molecular weight of 326.60 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-2,2-ditert-butyl-5-ethyl-4-methyl-6-(2-methylidenebutyl)-1,3,2-dioxasilinane is sourced from PubChem (CID 10734932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).