methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate

C10H20O3Si — CID 46944472

IUPACmethyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate
SMILESCOC(=O)C[C@H](O)C/C=C\[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-13-10(12)8-9(11)6-5-7-14(2,3)4/h5,7,9,11H,6,8H2,1-4H3/b7-5-/t9-/m1/s1
InChIKeyOVWSFFOYFOCHTE-WILPJHFFSA-N
MW216.35 g/mol
LogP1.73
Rot. Bonds5

About methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate

methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate (PubChem CID 46944472) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate.

Molecular Properties

Compound Namemethyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate
PubChem CID46944472
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namemethyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate
SMILESCOC(=O)C[C@H](O)C/C=C\[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-13-10(12)8-9(11)6-5-7-14(2,3)4/h5,7,9,11H,6,8H2,1-4H3/b7-5-/t9-/m1/s1
InChIKeyOVWSFFOYFOCHTE-WILPJHFFSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl (3R)-3-hydroxy-5-hexenoate
CID 14110569
(R)-3-(tert-Butyldimethylsilyloxy)-5-hexenoic acid
CID 14110578
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
t-Butyl (3r)-3-hydroxyl-5-hexenoate
CID 11171417
ethyl (3R)-3-hydroxyhex-5-enoate
CID 14110567
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
methyl (E,3S)-3-hydroxydec-5-enoate
CID 642276
(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
CID 10545282
(Z)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
CID 10783538
methyl (E)-3-hydroxydec-5-enoate
CID 15259813

Frequently Asked Questions

What is the IUPAC name of methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate?
The IUPAC name of methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate (CID 46944472) is methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate.
What is the SMILES notation for methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate?
The canonical SMILES for methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate is COC(=O)C[C@H](O)C/C=C\[Si](C)(C)C.
What is the InChIKey of methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate?
The InChIKey is OVWSFFOYFOCHTE-WILPJHFFSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-13-10(12)8-9(11)6-5-7-14(2,3)4/h5,7,9,11H,6,8H2,1-4H3/b7-5-/t9-/m1/s1.
What are the key properties of methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate?
methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate has a molecular weight of 216.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate is sourced from PubChem (CID 46944472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).