hex-4-yn-3-yloxy-dimethyl-tridecoxysilane

C21H42O2Si — CID 91742605

IUPAChex-4-yn-3-yloxy-dimethyl-tridecoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C21H42O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(4,5)23-21(8-3)19-7-2/h21H,6,8-18,20H2,1-5H3
InChIKeyGSFGZZFRNHPKSN-UHFFFAOYSA-N
MW354.65 g/mol
LogP6.83
Rot. Bonds16

About hex-4-yn-3-yloxy-dimethyl-tridecoxysilane

hex-4-yn-3-yloxy-dimethyl-tridecoxysilane (PubChem CID 91742605) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-tridecoxysilane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-dimethyl-tridecoxysilane
PubChem CID91742605
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Namehex-4-yn-3-yloxy-dimethyl-tridecoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C21H42O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(4,5)23-21(8-3)19-7-2/h21H,6,8-18,20H2,1-5H3
InChIKeyGSFGZZFRNHPKSN-UHFFFAOYSA-N
XLogP6.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.83
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 hex-4-yn-3-yloxy-dimethyl-tridecoxysilane?
The IUPAC name of hex-4-yn-3-yloxy-dimethyl-tridecoxysilane (CID 91742605) is hex-4-yn-3-yloxy-dimethyl-tridecoxysilane.
What is the SMILES notation for hex-4-yn-3-yloxy-dimethyl-tridecoxysilane?
The canonical SMILES for hex-4-yn-3-yloxy-dimethyl-tridecoxysilane is CC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCC.
What is the InChIKey of hex-4-yn-3-yloxy-dimethyl-tridecoxysilane?
The InChIKey is GSFGZZFRNHPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(4,5)23-21(8-3)19-7-2/h21H,6,8-18,20H2,1-5H3.
What are the key properties of hex-4-yn-3-yloxy-dimethyl-tridecoxysilane?
hex-4-yn-3-yloxy-dimethyl-tridecoxysilane has a molecular weight of 354.65 g/mol, XLogP of 6.83, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yn-3-yloxy-dimethyl-tridecoxysilane is sourced from PubChem (CID 91742605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).