methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate

C20H34O5Si — CID 86613480

IUPACmethyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(OCCO[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C20H34O5Si/c1-14(2)26(15(3)4,16(5)6)25-9-8-24-19-11-17(10-18(21)13-19)12-20(22)23-7/h10-11,13-16,21H,8-9,12H2,1-7H3
InChIKeyLDDGTTJDHYKASS-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.68
Rot. Bonds10

About methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate

methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate (PubChem CID 86613480) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate
PubChem CID86613480
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Namemethyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(OCCO[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C20H34O5Si/c1-14(2)26(15(3)4,16(5)6)25-9-8-24-19-11-17(10-18(21)13-19)12-20(22)23-7/h10-11,13-16,21H,8-9,12H2,1-7H3
InChIKeyLDDGTTJDHYKASS-UHFFFAOYSA-N
XLogP4.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate (CID 86613480) is methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate is COC(=O)Cc1cc(O)cc(OCCO[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate?
The InChIKey is LDDGTTJDHYKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5Si/c1-14(2)26(15(3)4,16(5)6)25-9-8-24-19-11-17(10-18(21)13-19)12-20(22)23-7/h10-11,13-16,21H,8-9,12H2,1-7H3.
What are the key properties of methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate?
methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate has a molecular weight of 382.57 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate is sourced from PubChem (CID 86613480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).