2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane

C20H42O4Si2 — CID 123302721

IUPAC2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane
SMILESCCCC=C[Si](CC[Si](C=CCCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C20H42O4Si2/c1-7-13-15-17-25(21-9-3,22-10-4)19-20-26(23-11-5,24-12-6)18-16-14-8-2/h15-18H,7-14,19-20H2,1-6H3
InChIKeySMLSCYHCZRFQQO-UHFFFAOYSA-N
MW402.72 g/mol
LogP5.81
Rot. Bonds17

About 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane

2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane (PubChem CID 123302721) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane.

Molecular Properties

Compound Name2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane
PubChem CID123302721
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Name2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane
SMILESCCCC=C[Si](CC[Si](C=CCCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C20H42O4Si2/c1-7-13-15-17-25(21-9-3,22-10-4)19-20-26(23-11-5,24-12-6)18-16-14-8-2/h15-18H,7-14,19-20H2,1-6H3
InChIKeySMLSCYHCZRFQQO-UHFFFAOYSA-N
XLogP5.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane?
The IUPAC name of 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane (CID 123302721) is 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane.
What is the SMILES notation for 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane?
The canonical SMILES for 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane is CCCC=C[Si](CC[Si](C=CCCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane?
The InChIKey is SMLSCYHCZRFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-7-13-15-17-25(21-9-3,22-10-4)19-20-26(23-11-5,24-12-6)18-16-14-8-2/h15-18H,7-14,19-20H2,1-6H3.
What are the key properties of 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane?
2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane has a molecular weight of 402.72 g/mol, XLogP of 5.81, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxy(pent-1-enyl)silyl]ethyl-diethoxy-pent-1-enylsilane is sourced from PubChem (CID 123302721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).