dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane

C31H64O4Si2 — CID 123827090

IUPACdibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane
SMILESCCCCC=C[Si](CCC[Si](C=CCCCC)(OCCCC)OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C31H64O4Si2/c1-7-13-19-21-28-36(32-24-15-9-3,33-25-16-10-4)30-23-31-37(34-26-17-11-5,35-27-18-12-6)29-22-20-14-8-2/h21-22,28-29H,7-20,23-27,30-31H2,1-6H3
InChIKeyIEKHCKUHOMZYNY-UHFFFAOYSA-N
MW557.02 g/mol
LogP10.10
Rot. Bonds28

About dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane

dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane (PubChem CID 123827090) has the molecular formula C31H64O4Si2 and a molecular weight of 557.02 g/mol. Its IUPAC name is dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane.

Molecular Properties

Compound Namedibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane
PubChem CID123827090
Molecular FormulaC31H64O4Si2
Molecular Weight557.02 g/mol
Exact Mass556.43
IUPAC Namedibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane
SMILESCCCCC=C[Si](CCC[Si](C=CCCCC)(OCCCC)OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C31H64O4Si2/c1-7-13-19-21-28-36(32-24-15-9-3,33-25-16-10-4)30-23-31-37(34-26-17-11-5,35-27-18-12-6)29-22-20-14-8-2/h21-22,28-29H,7-20,23-27,30-31H2,1-6H3
InChIKeyIEKHCKUHOMZYNY-UHFFFAOYSA-N
XLogP10.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hex-1-enyl-[3-[hex-1-enyl(dipropoxy)silyl]propyl]-dipropoxysilane
CID 123749163
dibutoxy-[2-[dibutoxy(pent-1-enyl)silyl]ethyl]-pent-1-enylsilane
CID 123897190
dibutoxy-dec-1-enyl-ethylsilane
CID 155797338
diethoxy-ethyl-hex-1-enylsilane
CID 154083914
dibutoxy-[2-[dibutoxy(prop-1-enyl)silyl]ethyl]-prop-1-enylsilane
CID 123692840
2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane
CID 123302721
triethoxy-[(E)-hex-1-enyl]silane
CID 11184190
dibutoxy-[1-[dibutoxy(pent-1-enyl)silyl]ethyl]-pent-1-enylsilane
CID 87177624
hex-1-enyl(trimethoxy)silane
CID 54491862
octa-1,3-dienyl(tripentoxy)silane
CID 153307537
triethoxy(undec-1-enyl)silane
CID 140758879
triethoxy(icos-1-enyl)silane
CID 140638362

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane?
The IUPAC name of dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane (CID 123827090) is dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane.
What is the SMILES notation for dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane?
The canonical SMILES for dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane is CCCCC=C[Si](CCC[Si](C=CCCCC)(OCCCC)OCCCC)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane?
The InChIKey is IEKHCKUHOMZYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O4Si2/c1-7-13-19-21-28-36(32-24-15-9-3,33-25-16-10-4)30-23-31-37(34-26-17-11-5,35-27-18-12-6)29-22-20-14-8-2/h21-22,28-29H,7-20,23-27,30-31H2,1-6H3.
What are the key properties of dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane?
dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane has a molecular weight of 557.02 g/mol, XLogP of 10.10, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[3-[dibutoxy(hex-1-enyl)silyl]propyl]-hex-1-enylsilane is sourced from PubChem (CID 123827090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).