methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate

C14H26O3Si — CID 123995551

IUPACmethyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate
SMILESCCCCC(C(=O)OC)=C(C)C1([SiH3])CCCCO1
InChIInChI=1S/C14H26O3Si/c1-4-5-8-12(13(15)16-3)11(2)14(18)9-6-7-10-17-14/h4-10H2,1-3,18H3
InChIKeyFFQXKWVJYODYGH-UHFFFAOYSA-N
MW270.44 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate

methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate (PubChem CID 123995551) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate
PubChem CID123995551
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate
SMILESCCCCC(C(=O)OC)=C(C)C1([SiH3])CCCCO1
InChIInChI=1S/C14H26O3Si/c1-4-5-8-12(13(15)16-3)11(2)14(18)9-6-7-10-17-14/h4-10H2,1-3,18H3
InChIKeyFFQXKWVJYODYGH-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate?
The IUPAC name of methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate (CID 123995551) is methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate.
What is the SMILES notation for methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate?
The canonical SMILES for methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate is CCCCC(C(=O)OC)=C(C)C1([SiH3])CCCCO1.
What is the InChIKey of methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate?
The InChIKey is FFQXKWVJYODYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-4-5-8-12(13(15)16-3)11(2)14(18)9-6-7-10-17-14/h4-10H2,1-3,18H3.
What are the key properties of methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate?
methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate has a molecular weight of 270.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-silyloxan-2-yl)ethylidene]hexanoate is sourced from PubChem (CID 123995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).