triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane

C27H56OSi3 — CID 135020839

IUPACtriethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\C/C=C/[Si](CC)(CC)CC)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C27H56OSi3/c1-11-22-26(28-31(18-8,19-9)20-10)25-27(30(15-5,16-6)17-7)23-21-24-29(12-2,13-3)14-4/h11,21,24-26H,1,12-20,22-23H2,2-10H3/b24-21+,27-25+
InChIKeyPMYMXJNIAKNRLC-ZKVFNAHQSA-N
MW481.00 g/mol
LogP9.92
Rot. Bonds18

About triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane

triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane (PubChem CID 135020839) has the molecular formula C27H56OSi3 and a molecular weight of 481.00 g/mol. Its IUPAC name is triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane
PubChem CID135020839
Molecular FormulaC27H56OSi3
Molecular Weight481.00 g/mol
Exact Mass480.36
IUPAC Nametriethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\C/C=C/[Si](CC)(CC)CC)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C27H56OSi3/c1-11-22-26(28-31(18-8,19-9)20-10)25-27(30(15-5,16-6)17-7)23-21-24-29(12-2,13-3)14-4/h11,21,24-26H,1,12-20,22-23H2,2-10H3/b24-21+,27-25+
InChIKeyPMYMXJNIAKNRLC-ZKVFNAHQSA-N
XLogP9.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
CID 91696575
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
4-Trimethylsiloxy-1,5-heptadiene
CID 140330532
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
Trimethyl[(pent-3-en-2-yl)oxy]silane
CID 57043187
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Trimethylsilyloxyoct-3-ene
CID 5353183
2-Dimethylisopropylsilyloxyoct-3-ene
CID 5353187
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane?
The IUPAC name of triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane (CID 135020839) is triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane.
What is the SMILES notation for triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane?
The canonical SMILES for triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane is C=CCC(/C=C(\C/C=C/[Si](CC)(CC)CC)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane?
The InChIKey is PMYMXJNIAKNRLC-ZKVFNAHQSA-N. The full InChI is InChI=1S/C27H56OSi3/c1-11-22-26(28-31(18-8,19-9)20-10)25-27(30(15-5,16-6)17-7)23-21-24-29(12-2,13-3)14-4/h11,21,24-26H,1,12-20,22-23H2,2-10H3/b24-21+,27-25+.
What are the key properties of triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane?
triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane has a molecular weight of 481.00 g/mol, XLogP of 9.92, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane is sourced from PubChem (CID 135020839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).