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

C25H52OSi3 — CID 134945498

IUPACtriethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\CC(=C)C[Si](C)(C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52OSi3/c1-12-19-24(26-29(16-5,17-6)18-7)21-25(28(13-2,14-3)15-4)20-23(8)22-27(9,10)11/h12,21,24H,1,8,13-20,22H2,2-7,9-11H3/b25-21+
InChIKeyLSRMYEYNABINBU-NJNXFGOHSA-N
MW452.95 g/mol
LogP9.21
Rot. Bonds16

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

triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane (PubChem CID 134945498) has the molecular formula C25H52OSi3 and a molecular weight of 452.95 g/mol. Its IUPAC name is triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
PubChem CID134945498
Molecular FormulaC25H52OSi3
Molecular Weight452.95 g/mol
Exact Mass452.33
IUPAC Nametriethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\CC(=C)C[Si](C)(C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52OSi3/c1-12-19-24(26-29(16-5,17-6)18-7)21-25(28(13-2,14-3)15-4)20-23(8)22-27(9,10)11/h12,21,24H,1,8,13-20,22H2,2-7,9-11H3/b25-21+
InChIKeyLSRMYEYNABINBU-NJNXFGOHSA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 59.21
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
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
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
CID 5353200
Nerol, tert-butyldimethylsilyl ether
CID 5366885

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane?
The IUPAC name of triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane (CID 134945498) is triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane.
What is the SMILES notation for triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane?
The canonical SMILES for triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane is C=CCC(/C=C(\CC(=C)C[Si](C)(C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane?
The InChIKey is LSRMYEYNABINBU-NJNXFGOHSA-N. The full InChI is InChI=1S/C25H52OSi3/c1-12-19-24(26-29(16-5,17-6)18-7)21-25(28(13-2,14-3)15-4)20-23(8)22-27(9,10)11/h12,21,24H,1,8,13-20,22H2,2-7,9-11H3/b25-21+.
What are the key properties of triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane?
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane has a molecular weight of 452.95 g/mol, XLogP of 9.21, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane is sourced from PubChem (CID 134945498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).