hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane

C24H48O2Si — CID 91743989

IUPAChexadecoxy-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27(4,5)26-24(8-3)22-7-2/h24H,6,8-21,23H2,1-5H3
InChIKeyKEZDPRNJWPPVES-UHFFFAOYSA-N
MW396.73 g/mol
LogP8.00
Rot. Bonds19

About hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane

hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane (PubChem CID 91743989) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane.

Molecular Properties

Compound Namehexadecoxy-hex-4-yn-3-yloxy-dimethylsilane
PubChem CID91743989
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Namehexadecoxy-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27(4,5)26-24(8-3)22-7-2/h24H,6,8-21,23H2,1-5H3
InChIKeyKEZDPRNJWPPVES-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Cyclododecanol, TMS
CID 526025
bis(Dodecyloxy)(dimethyl)silane
CID 20716717
Dimethyl(bis(tetradecyloxy))silane
CID 71372948
3-Dimethylsilyloxypentadecane
CID 6328887
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
4-Henicosyl-2,2-di-methyl-1,3-dioxa-2-silacyclohexane
CID 129725167
1-Fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
CID 141458490
Ethoxy-(8-fluorooctyl)-methyl-pentadecan-2-yloxysilane
CID 149956655

Frequently Asked Questions

What is the IUPAC name of hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
The IUPAC name of hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane (CID 91743989) is hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane.
What is the SMILES notation for hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
The canonical SMILES for hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane is CC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCCCCC.
What is the InChIKey of hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
The InChIKey is KEZDPRNJWPPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27(4,5)26-24(8-3)22-7-2/h24H,6,8-21,23H2,1-5H3.
What are the key properties of hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane?
hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane has a molecular weight of 396.73 g/mol, XLogP of 8.00, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-hex-4-yn-3-yloxy-dimethylsilane is sourced from PubChem (CID 91743989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).