ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane

C18H42O6S3Si2 — CID 54501900

IUPACethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane
SMILESCCCO[Si](OC)(OCC)C(CC)SSSC(CC)[Si](OC)(OCC)OCCC
InChIInChI=1S/C18H42O6S3Si2/c1-9-15-23-28(19-7,21-13-5)17(11-3)25-27-26-18(12-4)29(20-8,22-14-6)24-16-10-2/h17-18H,9-16H2,1-8H3
InChIKeyYDABAZXVFCMWDD-UHFFFAOYSA-N
MW506.90 g/mol
LogP5.75
Rot. Bonds20

About ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane

ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane (PubChem CID 54501900) has the molecular formula C18H42O6S3Si2 and a molecular weight of 506.90 g/mol. Its IUPAC name is ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane.

Molecular Properties

Compound Nameethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane
PubChem CID54501900
Molecular FormulaC18H42O6S3Si2
Molecular Weight506.90 g/mol
Exact Mass506.17
IUPAC Nameethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane
SMILESCCCO[Si](OC)(OCC)C(CC)SSSC(CC)[Si](OC)(OCC)OCCC
InChIInChI=1S/C18H42O6S3Si2/c1-9-15-23-28(19-7,21-13-5)17(11-3)25-27-26-18(12-4)29(20-8,22-14-6)24-16-10-2/h17-18H,9-16H2,1-8H3
InChIKeyYDABAZXVFCMWDD-UHFFFAOYSA-N
XLogP5.75
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.90
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane?
The IUPAC name of ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane (CID 54501900) is ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane.
What is the SMILES notation for ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane?
The canonical SMILES for ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane is CCCO[Si](OC)(OCC)C(CC)SSSC(CC)[Si](OC)(OCC)OCCC.
What is the InChIKey of ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane?
The InChIKey is YDABAZXVFCMWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6S3Si2/c1-9-15-23-28(19-7,21-13-5)17(11-3)25-27-26-18(12-4)29(20-8,22-14-6)24-16-10-2/h17-18H,9-16H2,1-8H3.
What are the key properties of ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane?
ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane has a molecular weight of 506.90 g/mol, XLogP of 5.75, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane is sourced from PubChem (CID 54501900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).