3-heptyl-1,1,2-trimethoxy-2-propylsilinane

C18H38O3Si — CID 174550111

IUPAC3-heptyl-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCCCCCC1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C18H38O3Si/c1-6-8-9-10-11-13-17-14-12-16-22(20-4,21-5)18(17,19-3)15-7-2/h17H,6-16H2,1-5H3
InChIKeyRQYDFTUWLVUKRU-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.22
Rot. Bonds11

About 3-heptyl-1,1,2-trimethoxy-2-propylsilinane

3-heptyl-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174550111) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is 3-heptyl-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-heptyl-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174550111
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name3-heptyl-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCCCCCC1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C18H38O3Si/c1-6-8-9-10-11-13-17-14-12-16-22(20-4,21-5)18(17,19-3)15-7-2/h17H,6-16H2,1-5H3
InChIKeyRQYDFTUWLVUKRU-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-heptyl-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3-heptyl-1,1,2-trimethoxy-2-propylsilinane (CID 174550111) is 3-heptyl-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3-heptyl-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3-heptyl-1,1,2-trimethoxy-2-propylsilinane is CCCCCCCC1CCC[Si](OC)(OC)C1(CCC)OC.
What is the InChIKey of 3-heptyl-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is RQYDFTUWLVUKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-6-8-9-10-11-13-17-14-12-16-22(20-4,21-5)18(17,19-3)15-7-2/h17H,6-16H2,1-5H3.
What are the key properties of 3-heptyl-1,1,2-trimethoxy-2-propylsilinane?
3-heptyl-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 330.59 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174550111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).