but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane

C27H56O4Si2 — CID 123957996

IUPACbut-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane
SMILESCC=CC[Si](OCCCC)(OCCCC)C(CC)[Si](CC=CC)(OCCCC)OCCCC
InChIInChI=1S/C27H56O4Si2/c1-8-15-21-28-32(25-19-12-5,29-22-16-9-2)27(14-7)33(26-20-13-6,30-23-17-10-3)31-24-18-11-4/h12-13,19-20,27H,8-11,14-18,21-26H2,1-7H3
InChIKeyYSQSEANZUDXACQ-UHFFFAOYSA-N
MW500.91 g/mol
LogP8.61
Rot. Bonds23

About but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane

but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane (PubChem CID 123957996) has the molecular formula C27H56O4Si2 and a molecular weight of 500.91 g/mol. Its IUPAC name is but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane.

Molecular Properties

Compound Namebut-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane
PubChem CID123957996
Molecular FormulaC27H56O4Si2
Molecular Weight500.91 g/mol
Exact Mass500.37
IUPAC Namebut-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane
SMILESCC=CC[Si](OCCCC)(OCCCC)C(CC)[Si](CC=CC)(OCCCC)OCCCC
InChIInChI=1S/C27H56O4Si2/c1-8-15-21-28-32(25-19-12-5,29-22-16-9-2)27(14-7)33(26-20-13-6,30-23-17-10-3)31-24-18-11-4/h12-13,19-20,27H,8-11,14-18,21-26H2,1-7H3
InChIKeyYSQSEANZUDXACQ-UHFFFAOYSA-N
XLogP8.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 58.61
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-enoxy]-dimethyl-octoxysilane
CID 91697268
dibutoxy-[4-[dibutoxy(propan-2-yl)silyl]butyl]-propan-2-ylsilane
CID 87144336
1-but-2-enoxybutane
CID 543904
dibutoxy-[2-[dibutoxy(prop-1-enyl)silyl]ethyl]-prop-1-enylsilane
CID 123692840
dibutoxy-ethoxy-prop-1-enylsilane
CID 123619903
bis[(E)-hex-4-enoxy]-dimethylsilane
CID 91697811
dibutoxy-methoxy-methylsilane
CID 525738
butoxy-dimethoxy-methylsilane
CID 54136554
dibutoxy-di(propan-2-yl)silane
CID 14324874
dibutoxy-[1-[dibutoxy(pent-1-enyl)silyl]ethyl]-pent-1-enylsilane
CID 87177624
but-2-enyl-hexyl-dimethylsilane
CID 162729066
dibutyl dipentyl silicate
CID 524713

Frequently Asked Questions

What is the IUPAC name of but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane?
The IUPAC name of but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane (CID 123957996) is but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane.
What is the SMILES notation for but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane?
The canonical SMILES for but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane is CC=CC[Si](OCCCC)(OCCCC)C(CC)[Si](CC=CC)(OCCCC)OCCCC.
What is the InChIKey of but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane?
The InChIKey is YSQSEANZUDXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-8-15-21-28-32(25-19-12-5,29-22-16-9-2)27(14-7)33(26-20-13-6,30-23-17-10-3)31-24-18-11-4/h12-13,19-20,27H,8-11,14-18,21-26H2,1-7H3.
What are the key properties of but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane?
but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane has a molecular weight of 500.91 g/mol, XLogP of 8.61, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl-[1-[but-2-enyl(dibutoxy)silyl]propyl]-dibutoxysilane is sourced from PubChem (CID 123957996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).