pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane

C26H58O2S4Si2 — CID 54326115

IUPACpentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane
SMILESCCCCCO[Si](CCC)(CCC)CCSSSSCC[Si](CCC)(CCC)OCCCCC
InChIInChI=1S/C26H58O2S4Si2/c1-7-13-15-17-27-33(21-9-3,22-10-4)25-19-29-31-32-30-20-26-34(23-11-5,24-12-6)28-18-16-14-8-2/h7-26H2,1-6H3
InChIKeySVBFDAHMFVDEDE-UHFFFAOYSA-N
MW587.19 g/mol
LogP11.61
Rot. Bonds27

About pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane

pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane (PubChem CID 54326115) has the molecular formula C26H58O2S4Si2 and a molecular weight of 587.19 g/mol. Its IUPAC name is pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane.

Molecular Properties

Compound Namepentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane
PubChem CID54326115
Molecular FormulaC26H58O2S4Si2
Molecular Weight587.19 g/mol
Exact Mass586.29
IUPAC Namepentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane
SMILESCCCCCO[Si](CCC)(CCC)CCSSSSCC[Si](CCC)(CCC)OCCCCC
InChIInChI=1S/C26H58O2S4Si2/c1-7-13-15-17-27-33(21-9-3,22-10-4)25-19-29-31-32-30-20-26-34(23-11-5,24-12-6)28-18-16-14-8-2/h7-26H2,1-6H3
InChIKeySVBFDAHMFVDEDE-UHFFFAOYSA-N
XLogP11.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.19
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

heptadecoxy(tripropyl)silane
CID 632797
tributyl(decoxy)silane
CID 523467
butoxy-[3-[butoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87143618
butoxy(tributyl)silane
CID 594608
decoxy(triethyl)silane
CID 523468
3-[butoxy(dipropyl)silyl]-N-methylpropan-1-amine
CID 141438211
trihexadecyl(propoxy)silane
CID 172579393
trichloro(pentoxy)silane
CID 524763
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
butyl-dipentoxy-propylsilane
CID 140892782
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
trichloro(hexoxy)silane
CID 524762

Frequently Asked Questions

What is the IUPAC name of pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane?
The IUPAC name of pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane (CID 54326115) is pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane.
What is the SMILES notation for pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane?
The canonical SMILES for pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane is CCCCCO[Si](CCC)(CCC)CCSSSSCC[Si](CCC)(CCC)OCCCCC.
What is the InChIKey of pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane?
The InChIKey is SVBFDAHMFVDEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58O2S4Si2/c1-7-13-15-17-27-33(21-9-3,22-10-4)25-19-29-31-32-30-20-26-34(23-11-5,24-12-6)28-18-16-14-8-2/h7-26H2,1-6H3.
What are the key properties of pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane?
pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane has a molecular weight of 587.19 g/mol, XLogP of 11.61, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane is sourced from PubChem (CID 54326115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).