dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane

C20H34O4Si — CID 139765356

IUPACdibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
SMILESCCCCO[Si](CCCOCC1CO1)(OCCCC)c1ccccc1
InChIInChI=1S/C20H34O4Si/c1-3-5-14-23-25(24-15-6-4-2,20-11-8-7-9-12-20)16-10-13-21-17-19-18-22-19/h7-9,11-12,19H,3-6,10,13-18H2,1-2H3
InChIKeyDDMBKQYUQAERFL-UHFFFAOYSA-N
MW366.57 g/mol
LogP3.77
Rot. Bonds15

About dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane

dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane (PubChem CID 139765356) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane.

Molecular Properties

Compound Namedibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
PubChem CID139765356
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Namedibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
SMILESCCCCO[Si](CCCOCC1CO1)(OCCCC)c1ccccc1
InChIInChI=1S/C20H34O4Si/c1-3-5-14-23-25(24-15-6-4-2,20-11-8-7-9-12-20)16-10-13-21-17-19-18-22-19/h7-9,11-12,19H,3-6,10,13-18H2,1-2H3
InChIKeyDDMBKQYUQAERFL-UHFFFAOYSA-N
XLogP3.77
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 53.77
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
The IUPAC name of dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane (CID 139765356) is dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane.
What is the SMILES notation for dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
The canonical SMILES for dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane is CCCCO[Si](CCCOCC1CO1)(OCCCC)c1ccccc1.
What is the InChIKey of dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
The InChIKey is DDMBKQYUQAERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-3-5-14-23-25(24-15-6-4-2,20-11-8-7-9-12-20)16-10-13-21-17-19-18-22-19/h7-9,11-12,19H,3-6,10,13-18H2,1-2H3.
What are the key properties of dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane has a molecular weight of 366.57 g/mol, XLogP of 3.77, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane is sourced from PubChem (CID 139765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).