hex-4-yn-3-yloxy-dimethyl-pentoxysilane

C13H26O2Si — CID 91734633

IUPAChex-4-yn-3-yloxy-dimethyl-pentoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCC
InChIInChI=1S/C13H26O2Si/c1-6-9-10-12-14-16(4,5)15-13(8-3)11-7-2/h13H,6,8-10,12H2,1-5H3
InChIKeyNIZCEQCMHPVOFI-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.71
Rot. Bonds8

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

hex-4-yn-3-yloxy-dimethyl-pentoxysilane (PubChem CID 91734633) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-pentoxysilane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-dimethyl-pentoxysilane
PubChem CID91734633
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namehex-4-yn-3-yloxy-dimethyl-pentoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCC
InChIInChI=1S/C13H26O2Si/c1-6-9-10-12-14-16(4,5)15-13(8-3)11-7-2/h13H,6,8-10,12H2,1-5H3
InChIKeyNIZCEQCMHPVOFI-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.71
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

Dimethyl-di-2-pentoxysilane
CID 85844809
3-Trimethylsilyloxy-1-octyne
CID 12581365
t-Butyl(hept-6-yn-2-yloxy)dimethylsilane
CID 12753622
(S)-3-tert-butyldimethylsilanyloxy-1-heptyne
CID 12164636
Silane, dimethyl(2-hexyloxy)ethoxy-
CID 91719385
Silane, dimethyl(non-5-yn-3-yloxy)ethoxy-
CID 91723674
Silane, dimethyl(2-hexyloxy)propoxy-
CID 91723695
Silane, dimethyl(hex-4-yn-3-yloxy)ethoxy-
CID 91725825
Silane, dimethyl(non-5-yn-3-yloxy)propoxy-
CID 91726699
Silane, dimethyl(2-pentyloxy)butoxy-
CID 91726705
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)ethoxy-
CID 91726985
Silane, dimethyl(hex-4-yn-3-yloxy)propoxy-
CID 91728794

Frequently Asked Questions

What is the IUPAC name of hex-4-yn-3-yloxy-dimethyl-pentoxysilane?
The IUPAC name of hex-4-yn-3-yloxy-dimethyl-pentoxysilane (CID 91734633) is hex-4-yn-3-yloxy-dimethyl-pentoxysilane.
What is the SMILES notation for hex-4-yn-3-yloxy-dimethyl-pentoxysilane?
The canonical SMILES for hex-4-yn-3-yloxy-dimethyl-pentoxysilane is CC#CC(CC)O[Si](C)(C)OCCCCC.
What is the InChIKey of hex-4-yn-3-yloxy-dimethyl-pentoxysilane?
The InChIKey is NIZCEQCMHPVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-9-10-12-14-16(4,5)15-13(8-3)11-7-2/h13H,6,8-10,12H2,1-5H3.
What are the key properties of hex-4-yn-3-yloxy-dimethyl-pentoxysilane?
hex-4-yn-3-yloxy-dimethyl-pentoxysilane has a molecular weight of 242.43 g/mol, XLogP of 3.71, 8 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-pentoxysilane is sourced from PubChem (CID 91734633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).