methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate

C14H26O4Si — CID 67215197

IUPACmethyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate
SMILESC=C(C(=O)OC)C1([Si](C)(C)CCCO)CCCCO1
InChIInChI=1S/C14H26O4Si/c1-12(13(16)17-2)14(8-5-6-10-18-14)19(3,4)11-7-9-15/h15H,1,5-11H2,2-4H3
InChIKeyZUAKZUPGDCKCNB-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate

methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate (PubChem CID 67215197) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate
PubChem CID67215197
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate
SMILESC=C(C(=O)OC)C1([Si](C)(C)CCCO)CCCCO1
InChIInChI=1S/C14H26O4Si/c1-12(13(16)17-2)14(8-5-6-10-18-14)19(3,4)11-7-9-15/h15H,1,5-11H2,2-4H3
InChIKeyZUAKZUPGDCKCNB-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate?
The IUPAC name of methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate (CID 67215197) is methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate?
The canonical SMILES for methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate is C=C(C(=O)OC)C1([Si](C)(C)CCCO)CCCCO1.
What is the InChIKey of methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate?
The InChIKey is ZUAKZUPGDCKCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-12(13(16)17-2)14(8-5-6-10-18-14)19(3,4)11-7-9-15/h15H,1,5-11H2,2-4H3.
What are the key properties of methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate?
methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate has a molecular weight of 286.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate is sourced from PubChem (CID 67215197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).