but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane

C27H52O4Si2 — CID 153322151

IUPACbut-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane
SMILESCCC=C[Si](C[Si](C=CCC)(OCC)OC(C)C=CCCC)(OCC)OC(C)C=CCCC
InChIInChI=1S/C27H52O4Si2/c1-9-15-19-21-26(7)30-32(28-13-5,23-17-11-3)25-33(29-14-6,24-18-12-4)31-27(8)22-20-16-10-2/h17-24,26-27H,9-16,25H2,1-8H3
InChIKeyXBZMBFNVCMHWFR-UHFFFAOYSA-N
MW496.88 g/mol
LogP8.02
Rot. Bonds20

About but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane

but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane (PubChem CID 153322151) has the molecular formula C27H52O4Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane.

Molecular Properties

Compound Namebut-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane
PubChem CID153322151
Molecular FormulaC27H52O4Si2
Molecular Weight496.88 g/mol
Exact Mass496.34
IUPAC Namebut-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane
SMILESCCC=C[Si](C[Si](C=CCC)(OCC)OC(C)C=CCCC)(OCC)OC(C)C=CCCC
InChIInChI=1S/C27H52O4Si2/c1-9-15-19-21-26(7)30-32(28-13-5,23-17-11-3)25-33(29-14-6,24-18-12-4)31-27(8)22-20-16-10-2/h17-24,26-27H,9-16,25H2,1-8H3
InChIKeyXBZMBFNVCMHWFR-UHFFFAOYSA-N
XLogP8.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane
CID 123302721
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
trihexyl-[(E)-oct-3-en-2-yl]oxysilane
CID 5353195
diethoxy-ethyl-hex-1-enylsilane
CID 154083914
(E)-2-ethenoxyhept-3-ene
CID 102248112
bis(but-1-enyl)-diethoxysilane
CID 74017856
3-methylocta-1,4-diene
CID 123442447
(E,2S)-2-methylhept-3-enal
CID 124565519
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565
(E)-2,3-dimethyloct-4-ene
CID 173368392
(6R)-6-methylnon-4-ene
CID 175484589

Frequently Asked Questions

What is the IUPAC name of but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane?
The IUPAC name of but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane (CID 153322151) is but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane.
What is the SMILES notation for but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane?
The canonical SMILES for but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane is CCC=C[Si](C[Si](C=CCC)(OCC)OC(C)C=CCCC)(OCC)OC(C)C=CCCC.
What is the InChIKey of but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane?
The InChIKey is XBZMBFNVCMHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O4Si2/c1-9-15-19-21-26(7)30-32(28-13-5,23-17-11-3)25-33(29-14-6,24-18-12-4)31-27(8)22-20-16-10-2/h17-24,26-27H,9-16,25H2,1-8H3.
What are the key properties of but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane?
but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane has a molecular weight of 496.88 g/mol, XLogP of 8.02, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-[(but-1-enyl-ethoxy-hept-3-en-2-yloxysilyl)methyl]-ethoxy-hept-3-en-2-yloxysilane is sourced from PubChem (CID 153322151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).