[(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane

C17H32Si — CID 101441977

IUPAC[(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC/C=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)CC
InChIInChI=1S/C17H32Si/c1-9-11-17(10-2)12-13-18(14(3)4,15(5)6)16(7)8/h11,14-16H,9-10H2,1-8H3/b17-11+
InChIKeyYFRHQBZDDCSGCR-GZTJUZNOSA-N
MW264.53 g/mol
LogP5.95
Rot. Bonds5

About [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane

[(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 101441977) has the molecular formula C17H32Si and a molecular weight of 264.53 g/mol. Its IUPAC name is [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID101441977
Molecular FormulaC17H32Si
Molecular Weight264.53 g/mol
Exact Mass264.23
IUPAC Name[(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC/C=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)CC
InChIInChI=1S/C17H32Si/c1-9-11-17(10-2)12-13-18(14(3)4,15(5)6)16(7)8/h11,14-16H,9-10H2,1-8H3/b17-11+
InChIKeyYFRHQBZDDCSGCR-GZTJUZNOSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane (CID 101441977) is [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane is CC/C=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)CC.
What is the InChIKey of [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is YFRHQBZDDCSGCR-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H32Si/c1-9-11-17(10-2)12-13-18(14(3)4,15(5)6)16(7)8/h11,14-16H,9-10H2,1-8H3/b17-11+.
What are the key properties of [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane?
[(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 264.53 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethylhex-3-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101441977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).