[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane

C14H28O3Si — CID 174783786

IUPAC[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane
SMILESCC(CCCCC1([SiH3])CCCCO1)OCC1CO1
InChIInChI=1S/C14H28O3Si/c1-12(15-10-13-11-16-13)6-2-3-7-14(18)8-4-5-9-17-14/h12-13H,2-11H2,1,18H3
InChIKeySYZKCBBHTNVNQR-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.61
Rot. Bonds8

About [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane

[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane (PubChem CID 174783786) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane.

Molecular Properties

Compound Name[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane
PubChem CID174783786
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane
SMILESCC(CCCCC1([SiH3])CCCCO1)OCC1CO1
InChIInChI=1S/C14H28O3Si/c1-12(15-10-13-11-16-13)6-2-3-7-14(18)8-4-5-9-17-14/h12-13H,2-11H2,1,18H3
InChIKeySYZKCBBHTNVNQR-UHFFFAOYSA-N
XLogP1.61
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.61
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane?
The IUPAC name of [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane (CID 174783786) is [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane.
What is the SMILES notation for [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane?
The canonical SMILES for [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane is CC(CCCCC1([SiH3])CCCCO1)OCC1CO1.
What is the InChIKey of [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane?
The InChIKey is SYZKCBBHTNVNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-12(15-10-13-11-16-13)6-2-3-7-14(18)8-4-5-9-17-14/h12-13H,2-11H2,1,18H3.
What are the key properties of [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane?
[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane has a molecular weight of 272.46 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane is sourced from PubChem (CID 174783786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).