3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane

C12H20OSi — CID 11127515

IUPAC3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane
SMILESC/C=C/C=C/COCC#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-5-6-7-8-10-13-11-9-12-14(2,3)4/h5-8H,10-11H2,1-4H3/b6-5+,8-7+
InChIKeyKIXBEQOTAADMFU-BSWSSELBSA-N
MW208.38 g/mol
LogP3.02
Rot. Bonds4

About 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane

3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane (PubChem CID 11127515) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane
PubChem CID11127515
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane
SMILESC/C=C/C=C/COCC#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-5-6-7-8-10-13-11-9-12-14(2,3)4/h5-8H,10-11H2,1-4H3/b6-5+,8-7+
InChIKeyKIXBEQOTAADMFU-BSWSSELBSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane (CID 11127515) is 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane is C/C=C/C=C/COCC#C[Si](C)(C)C.
What is the InChIKey of 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane?
The InChIKey is KIXBEQOTAADMFU-BSWSSELBSA-N. The full InChI is InChI=1S/C12H20OSi/c1-5-6-7-8-10-13-11-9-12-14(2,3)4/h5-8H,10-11H2,1-4H3/b6-5+,8-7+.
What are the key properties of 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane?
3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 11127515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).