5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane

C16H30O4Si — CID 87414469

IUPAC5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane
SMILESCO[Si](CCCCCOC1C#CCCCCC1)(OC)OC
InChIInChI=1S/C16H30O4Si/c1-17-21(18-2,19-3)15-11-7-10-14-20-16-12-8-5-4-6-9-13-16/h16H,4-8,10-12,14-15H2,1-3H3
InChIKeyRZSNZAFUBSSFDJ-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.39
Rot. Bonds10

About 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane

5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane (PubChem CID 87414469) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane.

Molecular Properties

Compound Name5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane
PubChem CID87414469
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane
SMILESCO[Si](CCCCCOC1C#CCCCCC1)(OC)OC
InChIInChI=1S/C16H30O4Si/c1-17-21(18-2,19-3)15-11-7-10-14-20-16-12-8-5-4-6-9-13-16/h16H,4-8,10-12,14-15H2,1-3H3
InChIKeyRZSNZAFUBSSFDJ-UHFFFAOYSA-N
XLogP3.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane?
The IUPAC name of 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane (CID 87414469) is 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane.
What is the SMILES notation for 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane?
The canonical SMILES for 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane is CO[Si](CCCCCOC1C#CCCCCC1)(OC)OC.
What is the InChIKey of 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane?
The InChIKey is RZSNZAFUBSSFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-17-21(18-2,19-3)15-11-7-10-14-20-16-12-8-5-4-6-9-13-16/h16H,4-8,10-12,14-15H2,1-3H3.
What are the key properties of 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane?
5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane has a molecular weight of 314.50 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane is sourced from PubChem (CID 87414469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).