[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane

C22H44O3Si — CID 134863672

IUPAC[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C22H44O3Si/c1-15(2)26(16(3)4,17(5)6)24-13-18(7)12-19(8)21-20(9)14-23-22(10,11)25-21/h12,15-18,20-21H,13-14H2,1-11H3/b19-12+/t18-,20+,21+/m0/s1
InChIKeyJFCHFMSAXQONJO-OKDHUJPLSA-N
MW384.68 g/mol
LogP6.55
Rot. Bonds8

About [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane

[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 134863672) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
PubChem CID134863672
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C22H44O3Si/c1-15(2)26(16(3)4,17(5)6)24-13-18(7)12-19(8)21-20(9)14-23-22(10,11)25-21/h12,15-18,20-21H,13-14H2,1-11H3/b19-12+/t18-,20+,21+/m0/s1
InChIKeyJFCHFMSAXQONJO-OKDHUJPLSA-N
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol
CID 10681760
methyl (Z,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoate
CID 100978294
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
[(2R)-2-[(4R,5S,6S)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propyl] acetate
CID 10620195
(4S)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-one
CID 13414271
[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
CID 56946557
(4R,6S)-2,2,5-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxane
CID 11003579
[(4aR,8R,8aR)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
CID 11462014
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11044870

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane (CID 134863672) is [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane is C/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1OC(C)(C)OC[C@H]1C.
What is the InChIKey of [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is JFCHFMSAXQONJO-OKDHUJPLSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-15(2)26(16(3)4,17(5)6)24-13-18(7)12-19(8)21-20(9)14-23-22(10,11)25-21/h12,15-18,20-21H,13-14H2,1-11H3/b19-12+/t18-,20+,21+/m0/s1.
What are the key properties of [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 384.68 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134863672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).