trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane

C14H28O5Si — CID 151746450

IUPACtrimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
SMILESC=CCCC(C(CC)OCC1CO1)[Si](OC)(OC)OC
InChIInChI=1S/C14H28O5Si/c1-6-8-9-14(20(15-3,16-4)17-5)13(7-2)19-11-12-10-18-12/h6,12-14H,1,7-11H2,2-5H3
InChIKeyRNPUPYLKACQITM-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.39
Rot. Bonds12

About trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane

trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane (PubChem CID 151746450) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
PubChem CID151746450
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Nametrimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
SMILESC=CCCC(C(CC)OCC1CO1)[Si](OC)(OC)OC
InChIInChI=1S/C14H28O5Si/c1-6-8-9-14(20(15-3,16-4)17-5)13(7-2)19-11-12-10-18-12/h6,12-14H,1,7-11H2,2-5H3
InChIKeyRNPUPYLKACQITM-UHFFFAOYSA-N
XLogP2.39
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane?
The IUPAC name of trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane (CID 151746450) is trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane.
What is the SMILES notation for trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane?
The canonical SMILES for trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane is C=CCCC(C(CC)OCC1CO1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane?
The InChIKey is RNPUPYLKACQITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-6-8-9-14(20(15-3,16-4)17-5)13(7-2)19-11-12-10-18-12/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane?
trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane has a molecular weight of 304.46 g/mol, XLogP of 2.39, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane is sourced from PubChem (CID 151746450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).