bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane

C15H32O5Si — CID 174155856

IUPACbis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane
SMILESCC(C)CO[SiH](OCCCCOCC1CO1)OCC(C)C
InChIInChI=1S/C15H32O5Si/c1-13(2)9-19-21(20-10-14(3)4)18-8-6-5-7-16-11-15-12-17-15/h13-15,21H,5-12H2,1-4H3
InChIKeyWRSHDVFYENHSDK-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.26
Rot. Bonds14

About bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane

bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane (PubChem CID 174155856) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane.

Molecular Properties

Compound Namebis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane
PubChem CID174155856
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Namebis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane
SMILESCC(C)CO[SiH](OCCCCOCC1CO1)OCC(C)C
InChIInChI=1S/C15H32O5Si/c1-13(2)9-19-21(20-10-14(3)4)18-8-6-5-7-16-11-15-12-17-15/h13-15,21H,5-12H2,1-4H3
InChIKeyWRSHDVFYENHSDK-UHFFFAOYSA-N
XLogP2.26
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
diethyl-[5-(oxiran-2-ylmethoxy)pentoxy]silane
CID 173147432
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-(9-methylundecoxymethyl)oxirane
CID 167130784
2-(pentoxymethyl)oxirane
CID 160890113
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 169273482
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane?
The IUPAC name of bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane (CID 174155856) is bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane.
What is the SMILES notation for bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane?
The canonical SMILES for bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane is CC(C)CO[SiH](OCCCCOCC1CO1)OCC(C)C.
What is the InChIKey of bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane?
The InChIKey is WRSHDVFYENHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-13(2)9-19-21(20-10-14(3)4)18-8-6-5-7-16-11-15-12-17-15/h13-15,21H,5-12H2,1-4H3.
What are the key properties of bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane?
bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane has a molecular weight of 320.50 g/mol, XLogP of 2.26, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane is sourced from PubChem (CID 174155856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).