[(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane

C28H52O3Si2 — CID 11049283

IUPAC[(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@](C)(CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)OC(C)(C)[C@@H]2CCC(C)=C21
InChIInChI=1S/C28H52O3Si2/c1-14-28(9,19-15-16-21(2)20-29-32(10,11)26(4,5)6)25-24-22(3)17-18-23(24)27(7,8)31-33(12,13)30-25/h14,16,23,25H,1,15,17-20H2,2-13H3/b21-16+/t23-,25-,28-/m1/s1
InChIKeyJCCOTZCCAHWOMH-NDBQVDCGSA-N
MW492.89 g/mol
LogP8.55
Rot. Bonds8

About [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane

[(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 11049283) has the molecular formula C28H52O3Si2 and a molecular weight of 492.89 g/mol. Its IUPAC name is [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
PubChem CID11049283
Molecular FormulaC28H52O3Si2
Molecular Weight492.89 g/mol
Exact Mass492.35
IUPAC Name[(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@](C)(CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)OC(C)(C)[C@@H]2CCC(C)=C21
InChIInChI=1S/C28H52O3Si2/c1-14-28(9,19-15-16-21(2)20-29-32(10,11)26(4,5)6)25-24-22(3)17-18-23(24)27(7,8)31-33(12,13)30-25/h14,16,23,25H,1,15,17-20H2,2-13H3/b21-16+/t23-,25-,28-/m1/s1
InChIKeyJCCOTZCCAHWOMH-NDBQVDCGSA-N
XLogP8.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 58.55
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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Frequently Asked Questions

What is the IUPAC name of [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane (CID 11049283) is [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane is C=C[C@](C)(CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)OC(C)(C)[C@@H]2CCC(C)=C21.
What is the InChIKey of [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is JCCOTZCCAHWOMH-NDBQVDCGSA-N. The full InChI is InChI=1S/C28H52O3Si2/c1-14-28(9,19-15-16-21(2)20-29-32(10,11)26(4,5)6)25-24-22(3)17-18-23(24)27(7,8)31-33(12,13)30-25/h14,16,23,25H,1,15,17-20H2,2-13H3/b21-16+/t23-,25-,28-/m1/s1.
What are the key properties of [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
[(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 492.89 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6S)-6-[(1S,5aR)-3,3,5,5,8-pentamethyl-1,5a,6,7-tetrahydrocyclopenta[e][1,3,2]dioxasilepin-1-yl]-2,6-dimethylocta-2,7-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11049283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).