2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol

C25H62O4S3Si5 — CID 157388042

IUPAC2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol
SMILESCCCO[Si](C)(C)CC[Si](CC[Si](C)(C)OCCS)(CC[Si](C)(C)OCCS)CC[Si](C)(C)OCCS
InChIInChI=1S/C25H62O4S3Si5/c1-10-11-26-33(2,3)18-22-37(23-19-34(4,5)27-12-15-30,24-20-35(6,7)28-13-16-31)25-21-36(8,9)29-14-17-32/h30-32H,10-25H2,1-9H3
InChIKeyNPWMSIDWSACQHZ-UHFFFAOYSA-N
MW663.40 g/mol
LogP8.52
Rot. Bonds24

About 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol

2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol (PubChem CID 157388042) has the molecular formula C25H62O4S3Si5 and a molecular weight of 663.40 g/mol. Its IUPAC name is 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol.

Molecular Properties

Compound Name2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol
PubChem CID157388042
Molecular FormulaC25H62O4S3Si5
Molecular Weight663.40 g/mol
Exact Mass662.27
IUPAC Name2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol
SMILESCCCO[Si](C)(C)CC[Si](CC[Si](C)(C)OCCS)(CC[Si](C)(C)OCCS)CC[Si](C)(C)OCCS
InChIInChI=1S/C25H62O4S3Si5/c1-10-11-26-33(2,3)18-22-37(23-19-34(4,5)27-12-15-30,24-20-35(6,7)28-13-16-31)25-21-36(8,9)29-14-17-32/h30-32H,10-25H2,1-9H3
InChIKeyNPWMSIDWSACQHZ-UHFFFAOYSA-N
XLogP8.52
TPSA36.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.40
LogP ≤ 58.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
CID 162012
3,14-Dioxa-8,9-dithia-4,13-disilahexadecane, 4,4,13,13-tetraethoxy-
CID 92506
3,15-Dioxa-8,9,10-trithia-4,14-disilaheptadecane, 4,4,14,14-tetraethoxy-
CID 92507
2,13-Dioxa-7,8-dithia-3,12-disilatetradecane, 3,12-dimethoxy-3,12-dimethyl-
CID 13597458
1-Propanethiol, 3,3'-(1,1,3,3-tetramethoxy-1,3-disiloxanediyl)bis-
CID 53424825
Triethyl-[2-methyl-1-[(2-methyl-1-triethylsilyloxypropyl)disulfanyl]propoxy]silane
CID 156019947
3-Mercaptopropylmethyldiethoxysilane
CID 18542002
(Bis(triethoxysilyl propyl)tetra sulfide)
CID 21889015
Bis-triethoxysilylpropyl tetrasulfide
CID 23283769
Bis[3-(ethoxy-silyl) propyl]disulfide
CID 57219165
Tetraethyl silicate;3-triethoxysilylpropane-1-thiol
CID 87079835
Tetraethyl silicate;3-trimethoxysilylpropane-1-thiol
CID 87080000

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol?
The IUPAC name of 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol (CID 157388042) is 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol.
What is the SMILES notation for 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol?
The canonical SMILES for 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol is CCCO[Si](C)(C)CC[Si](CC[Si](C)(C)OCCS)(CC[Si](C)(C)OCCS)CC[Si](C)(C)OCCS.
What is the InChIKey of 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol?
The InChIKey is NPWMSIDWSACQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H62O4S3Si5/c1-10-11-26-33(2,3)18-22-37(23-19-34(4,5)27-12-15-30,24-20-35(6,7)28-13-16-31)25-21-36(8,9)29-14-17-32/h30-32H,10-25H2,1-9H3.
What are the key properties of 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol?
2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol has a molecular weight of 663.40 g/mol, XLogP of 8.52, 24 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[dimethyl(propoxy)silyl]ethyl-bis[2-[dimethyl(2-sulfanylethoxy)silyl]ethyl]silyl]ethyl-dimethylsilyl]oxyethanethiol is sourced from PubChem (CID 157388042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).