[(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane

C18H34O2Si — CID 156686202

IUPAC[(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane
SMILESCCOC(C#C/C=C\[Si](C(C)C)(C(C)C)C(C)C)OCC
InChIInChI=1S/C18H34O2Si/c1-9-19-18(20-10-2)13-11-12-14-21(15(3)4,16(5)6)17(7)8/h12,14-18H,9-10H2,1-8H3/b14-12+
InChIKeyQRKJQFSNNBHLOL-WYMLVPIESA-N
MW310.55 g/mol
LogP5.16
Rot. Bonds8

About [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane

[(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane (PubChem CID 156686202) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane
PubChem CID156686202
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane
SMILESCCOC(C#C/C=C\[Si](C(C)C)(C(C)C)C(C)C)OCC
InChIInChI=1S/C18H34O2Si/c1-9-19-18(20-10-2)13-11-12-14-21(15(3)4,16(5)6)17(7)8/h12,14-18H,9-10H2,1-8H3/b14-12+
InChIKeyQRKJQFSNNBHLOL-WYMLVPIESA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane (CID 156686202) is [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane is CCOC(C#C/C=C\[Si](C(C)C)(C(C)C)C(C)C)OCC.
What is the InChIKey of [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane?
The InChIKey is QRKJQFSNNBHLOL-WYMLVPIESA-N. The full InChI is InChI=1S/C18H34O2Si/c1-9-19-18(20-10-2)13-11-12-14-21(15(3)4,16(5)6)17(7)8/h12,14-18H,9-10H2,1-8H3/b14-12+.
What are the key properties of [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane?
[(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane has a molecular weight of 310.55 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5,5-diethoxypent-1-en-3-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 156686202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).