hexadecoxy-dimethyl-octylsilane

C26H56OSi — CID 627002

IUPAChexadecoxy-dimethyl-octylsilane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)CCCCCCCC
InChIInChI=1S/C26H56OSi/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(3,4)26-24-22-12-10-8-6-2/h5-26H2,1-4H3
InChIKeyVPMYSAIUSQVUPW-UHFFFAOYSA-N
MW412.82 g/mol
LogP10.05
Rot. Bonds23

About hexadecoxy-dimethyl-octylsilane

hexadecoxy-dimethyl-octylsilane (PubChem CID 627002) has the molecular formula C26H56OSi and a molecular weight of 412.82 g/mol. Its IUPAC name is hexadecoxy-dimethyl-octylsilane.

Molecular Properties

Compound Namehexadecoxy-dimethyl-octylsilane
PubChem CID627002
Molecular FormulaC26H56OSi
Molecular Weight412.82 g/mol
Exact Mass412.41
IUPAC Namehexadecoxy-dimethyl-octylsilane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)CCCCCCCC
InChIInChI=1S/C26H56OSi/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(3,4)26-24-22-12-10-8-6-2/h5-26H2,1-4H3
InChIKeyVPMYSAIUSQVUPW-UHFFFAOYSA-N
XLogP10.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.82
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecoxy-dimethyl-octylsilane
CID 618139
butyl-dimethyl-octoxysilane
CID 604386
6-bromohexoxy-butyl-dimethylsilane
CID 154264730
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
chloromethyl-dimethyl-tetradecoxysilane
CID 554899
3-bromopropyl-butoxy-dimethylsilane
CID 140743893
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776

Frequently Asked Questions

What is the IUPAC name of hexadecoxy-dimethyl-octylsilane?
The IUPAC name of hexadecoxy-dimethyl-octylsilane (CID 627002) is hexadecoxy-dimethyl-octylsilane.
What is the SMILES notation for hexadecoxy-dimethyl-octylsilane?
The canonical SMILES for hexadecoxy-dimethyl-octylsilane is CCCCCCCCCCCCCCCCO[Si](C)(C)CCCCCCCC.
What is the InChIKey of hexadecoxy-dimethyl-octylsilane?
The InChIKey is VPMYSAIUSQVUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56OSi/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(3,4)26-24-22-12-10-8-6-2/h5-26H2,1-4H3.
What are the key properties of hexadecoxy-dimethyl-octylsilane?
hexadecoxy-dimethyl-octylsilane has a molecular weight of 412.82 g/mol, XLogP of 10.05, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-dimethyl-octylsilane is sourced from PubChem (CID 627002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).