(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal

C28H58O3Si2 — CID 177269516

IUPAC(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(/C=C/C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H58O3Si2/c1-14-15-16-18-27(30-32(21(2)3,22(4)5)23(6)7)28(19-17-20-29)31-33(24(8)9,25(10)11)26(12)13/h17,19-28H,14-16,18H2,1-13H3/b19-17+
InChIKeyWGCUJCCUOWOTMP-HTXNQAPBSA-N
MW498.94 g/mol
LogP9.44
Rot. Bonds17

About (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal

(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal (PubChem CID 177269516) has the molecular formula C28H58O3Si2 and a molecular weight of 498.94 g/mol. Its IUPAC name is (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal.

Molecular Properties

Compound Name(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal
PubChem CID177269516
Molecular FormulaC28H58O3Si2
Molecular Weight498.94 g/mol
Exact Mass498.39
IUPAC Name(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(/C=C/C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H58O3Si2/c1-14-15-16-18-27(30-32(21(2)3,22(4)5)23(6)7)28(19-17-20-29)31-33(24(8)9,25(10)11)26(12)13/h17,19-28H,14-16,18H2,1-13H3/b19-17+
InChIKeyWGCUJCCUOWOTMP-HTXNQAPBSA-N
XLogP9.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.94
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal?
The IUPAC name of (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal (CID 177269516) is (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal.
What is the SMILES notation for (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal?
The canonical SMILES for (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal is CCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(/C=C/C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal?
The InChIKey is WGCUJCCUOWOTMP-HTXNQAPBSA-N. The full InChI is InChI=1S/C28H58O3Si2/c1-14-15-16-18-27(30-32(21(2)3,22(4)5)23(6)7)28(19-17-20-29)31-33(24(8)9,25(10)11)26(12)13/h17,19-28H,14-16,18H2,1-13H3/b19-17+.
What are the key properties of (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal?
(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal has a molecular weight of 498.94 g/mol, XLogP of 9.44, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal is sourced from PubChem (CID 177269516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).