(E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid

C17H30O3Si — CID 163238482

IUPAC(E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid
SMILESCO[C@@H](/C=C/C#C[Si](C(C)C)(C(C)C)C(C)C)CC(=O)O
InChIInChI=1S/C17H30O3Si/c1-13(2)21(14(3)4,15(5)6)11-9-8-10-16(20-7)12-17(18)19/h8,10,13-16H,12H2,1-7H3,(H,18,19)/b10-8+/t16-/m0/s1
InChIKeyVZPOWBUPHWGTKP-DZZUKKPASA-N
MW310.51 g/mol
LogP4.25
Rot. Bonds7

About (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid

(E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid (PubChem CID 163238482) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid.

Molecular Properties

Compound Name(E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid
PubChem CID163238482
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name(E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid
SMILESCO[C@@H](/C=C/C#C[Si](C(C)C)(C(C)C)C(C)C)CC(=O)O
InChIInChI=1S/C17H30O3Si/c1-13(2)21(14(3)4,15(5)6)11-9-8-10-16(20-7)12-17(18)19/h8,10,13-16H,12H2,1-7H3,(H,18,19)/b10-8+/t16-/m0/s1
InChIKeyVZPOWBUPHWGTKP-DZZUKKPASA-N
XLogP4.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid?
The IUPAC name of (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid (CID 163238482) is (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid.
What is the SMILES notation for (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid?
The canonical SMILES for (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid is CO[C@@H](/C=C/C#C[Si](C(C)C)(C(C)C)C(C)C)CC(=O)O.
What is the InChIKey of (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid?
The InChIKey is VZPOWBUPHWGTKP-DZZUKKPASA-N. The full InChI is InChI=1S/C17H30O3Si/c1-13(2)21(14(3)4,15(5)6)11-9-8-10-16(20-7)12-17(18)19/h8,10,13-16H,12H2,1-7H3,(H,18,19)/b10-8+/t16-/m0/s1.
What are the key properties of (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid?
(E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid has a molecular weight of 310.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-methoxy-7-tri(propan-2-yl)silylhept-4-en-6-ynoic acid is sourced from PubChem (CID 163238482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).