[(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane

C28H52O3Si2 — CID 10918004

IUPAC[(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C/C[C@@]1(C)CC[C@@H]2C1=CO[Si](C)(C)OC2(C)C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O3Si2/c1-22(14-13-15-23(2)20-29-32(9,10)26(3,4)5)16-18-28(8)19-17-24-25(28)21-30-33(11,12)31-27(24,6)7/h15-16,21,24H,13-14,17-20H2,1-12H3/b22-16-,23-15+/t24-,28+/m1/s1
InChIKeyNXKAGVWXRWWBRE-LPDMZWFESA-N
MW492.89 g/mol
LogP8.90
Rot. Bonds8

About [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane

[(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 10918004) has the molecular formula C28H52O3Si2 and a molecular weight of 492.89 g/mol. Its IUPAC name is [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
PubChem CID10918004
Molecular FormulaC28H52O3Si2
Molecular Weight492.89 g/mol
Exact Mass492.35
IUPAC Name[(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C/C[C@@]1(C)CC[C@@H]2C1=CO[Si](C)(C)OC2(C)C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O3Si2/c1-22(14-13-15-23(2)20-29-32(9,10)26(3,4)5)16-18-28(8)19-17-24-25(28)21-30-33(11,12)31-27(24,6)7/h15-16,21,24H,13-14,17-20H2,1-12H3/b22-16-,23-15+/t24-,28+/m1/s1
InChIKeyNXKAGVWXRWWBRE-LPDMZWFESA-N
XLogP8.90
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 ≤ 58.90
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,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane (CID 10918004) is [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane is C/C(=C/C[C@@]1(C)CC[C@@H]2C1=CO[Si](C)(C)OC2(C)C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is NXKAGVWXRWWBRE-LPDMZWFESA-N. The full InChI is InChI=1S/C28H52O3Si2/c1-22(14-13-15-23(2)20-29-32(9,10)26(3,4)5)16-18-28(8)19-17-24-25(28)21-30-33(11,12)31-27(24,6)7/h15-16,21,24H,13-14,17-20H2,1-12H3/b22-16-,23-15+/t24-,28+/m1/s1.
What are the key properties of [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane?
[(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 492.89 g/mol, XLogP of 8.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6Z)-8-[(5aR,8R)-3,3,5,5,8-pentamethyl-6,7-dihydro-5aH-cyclopenta[e][1,3,2]dioxasilepin-8-yl]-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10918004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).