triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane

C20H40O5Si — CID 139790326

IUPACtriethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane
SMILESC=C1OC(CCCCC)C(OCOC)C(O[Si](CC)(CC)CC)C1OC
InChIInChI=1S/C20H40O5Si/c1-8-12-13-14-17-19(23-15-21-6)20(18(22-7)16(5)24-17)25-26(9-2,10-3)11-4/h17-20H,5,8-15H2,1-4,6-7H3
InChIKeyNYMUMHFPTLLYII-UHFFFAOYSA-N
MW388.62 g/mol
LogP4.87
Rot. Bonds13

About triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane

triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane (PubChem CID 139790326) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane
PubChem CID139790326
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Nametriethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane
SMILESC=C1OC(CCCCC)C(OCOC)C(O[Si](CC)(CC)CC)C1OC
InChIInChI=1S/C20H40O5Si/c1-8-12-13-14-17-19(23-15-21-6)20(18(22-7)16(5)24-17)25-26(9-2,10-3)11-4/h17-20H,5,8-15H2,1-4,6-7H3
InChIKeyNYMUMHFPTLLYII-UHFFFAOYSA-N
XLogP4.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.87
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane?
The IUPAC name of triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane (CID 139790326) is triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane is C=C1OC(CCCCC)C(OCOC)C(O[Si](CC)(CC)CC)C1OC.
What is the InChIKey of triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane?
The InChIKey is NYMUMHFPTLLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-8-12-13-14-17-19(23-15-21-6)20(18(22-7)16(5)24-17)25-26(9-2,10-3)11-4/h17-20H,5,8-15H2,1-4,6-7H3.
What are the key properties of triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane?
triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane has a molecular weight of 388.62 g/mol, XLogP of 4.87, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-methoxy-5-(methoxymethoxy)-2-methylidene-6-pentyloxan-4-yl]oxysilane is sourced from PubChem (CID 139790326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).