triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane

C27H56O3Si — CID 86216017

IUPACtriethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane
SMILESCC[Si](CC)(CC)OCCCCCCCCCCCCCCCCCC1(C)OCCO1
InChIInChI=1S/C27H56O3Si/c1-5-31(6-2,7-3)30-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-27(4)28-25-26-29-27/h5-26H2,1-4H3
InChIKeyHVGMJKQPXLJLNI-UHFFFAOYSA-N
MW456.83 g/mol
LogP9.01
Rot. Bonds22

About triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane

triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane (PubChem CID 86216017) has the molecular formula C27H56O3Si and a molecular weight of 456.83 g/mol. Its IUPAC name is triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane.

Molecular Properties

Compound Nametriethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane
PubChem CID86216017
Molecular FormulaC27H56O3Si
Molecular Weight456.83 g/mol
Exact Mass456.40
IUPAC Nametriethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane
SMILESCC[Si](CC)(CC)OCCCCCCCCCCCCCCCCCC1(C)OCCO1
InChIInChI=1S/C27H56O3Si/c1-5-31(6-2,7-3)30-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-27(4)28-25-26-29-27/h5-26H2,1-4H3
InChIKeyHVGMJKQPXLJLNI-UHFFFAOYSA-N
XLogP9.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.83
LogP ≤ 59.01
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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane?
The IUPAC name of triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane (CID 86216017) is triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane.
What is the SMILES notation for triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane?
The canonical SMILES for triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane is CC[Si](CC)(CC)OCCCCCCCCCCCCCCCCCC1(C)OCCO1.
What is the InChIKey of triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane?
The InChIKey is HVGMJKQPXLJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O3Si/c1-5-31(6-2,7-3)30-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-27(4)28-25-26-29-27/h5-26H2,1-4H3.
What are the key properties of triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane?
triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane has a molecular weight of 456.83 g/mol, XLogP of 9.01, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[17-(2-methyl-1,3-dioxolan-2-yl)heptadecoxy]silane is sourced from PubChem (CID 86216017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).