(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid

C10H20O3Si — CID 15049413

IUPAC(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid
SMILESC/C=C/[C@H]([C@H](OC)C(=O)O)[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-8(14(3,4)5)9(13-2)10(11)12/h6-9H,1-5H3,(H,11,12)/b7-6+/t8-,9+/m1/s1
InChIKeyCGPDACCLKOBSHK-BXELRRQVSA-N
MW216.35 g/mol
LogP2.37
Rot. Bonds5

About (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid

(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid (PubChem CID 15049413) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid.

Molecular Properties

Compound Name(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid
PubChem CID15049413
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid
SMILESC/C=C/[C@H]([C@H](OC)C(=O)O)[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-8(14(3,4)5)9(13-2)10(11)12/h6-9H,1-5H3,(H,11,12)/b7-6+/t8-,9+/m1/s1
InChIKeyCGPDACCLKOBSHK-BXELRRQVSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid?
The IUPAC name of (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid (CID 15049413) is (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid.
What is the SMILES notation for (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid?
The canonical SMILES for (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid is C/C=C/[C@H]([C@H](OC)C(=O)O)[Si](C)(C)C.
What is the InChIKey of (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid?
The InChIKey is CGPDACCLKOBSHK-BXELRRQVSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-7-8(14(3,4)5)9(13-2)10(11)12/h6-9H,1-5H3,(H,11,12)/b7-6+/t8-,9+/m1/s1.
What are the key properties of (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid?
(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid has a molecular weight of 216.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid is sourced from PubChem (CID 15049413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).