[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane

C27H50O4Si — CID 134941908

IUPAC[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCOC/C=C(COCC)/C(COCC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)COCC
InChIInChI=1S/C27H50O4Si/c1-11-28-17-15-25(19-29-12-2)27(21-31-14-4)26(20-30-13-3)16-18-32(22(5)6,23(7)8)24(9)10/h15,22-24H,11-14,17,19-21H2,1-10H3/b25-15+,27-26+
InChIKeyZNDLPMPDPIHQAY-RVTFTXCGSA-N
MW466.78 g/mol
LogP6.58
Rot. Bonds16

About [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane

[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 134941908) has the molecular formula C27H50O4Si and a molecular weight of 466.78 g/mol. Its IUPAC name is [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
PubChem CID134941908
Molecular FormulaC27H50O4Si
Molecular Weight466.78 g/mol
Exact Mass466.35
IUPAC Name[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCOC/C=C(COCC)/C(COCC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)COCC
InChIInChI=1S/C27H50O4Si/c1-11-28-17-15-25(19-29-12-2)27(21-31-14-4)26(20-30-13-3)16-18-32(22(5)6,23(7)8)24(9)10/h15,22-24H,11-14,17,19-21H2,1-10H3/b25-15+,27-26+
InChIKeyZNDLPMPDPIHQAY-RVTFTXCGSA-N
XLogP6.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.78
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane (CID 134941908) is [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane is CCOC/C=C(COCC)/C(COCC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)COCC.
What is the InChIKey of [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is ZNDLPMPDPIHQAY-RVTFTXCGSA-N. The full InChI is InChI=1S/C27H50O4Si/c1-11-28-17-15-25(19-29-12-2)27(21-31-14-4)26(20-30-13-3)16-18-32(22(5)6,23(7)8)24(9)10/h15,22-24H,11-14,17,19-21H2,1-10H3/b25-15+,27-26+.
What are the key properties of [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 466.78 g/mol, XLogP of 6.58, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 134941908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).