(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid

C18H36O3Si — CID 58902910

IUPAC(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
SMILESC/C(=C\CCC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-13(2)22(14(3)4,15(5)6)21-17(8)12-16(7)10-9-11-18(19)20/h10,13-15,17H,9,11-12H2,1-8H3,(H,19,20)/b16-10+/t17-/m0/s1
InChIKeyHGTKASOQYZJBCR-KGZWWPETSA-N
MW328.57 g/mol
LogP5.77
Rot. Bonds10

About (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid

(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid (PubChem CID 58902910) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid.

Molecular Properties

Compound Name(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
PubChem CID58902910
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
SMILESC/C(=C\CCC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-13(2)22(14(3)4,15(5)6)21-17(8)12-16(7)10-9-11-18(19)20/h10,13-15,17H,9,11-12H2,1-8H3,(H,19,20)/b16-10+/t17-/m0/s1
InChIKeyHGTKASOQYZJBCR-KGZWWPETSA-N
XLogP5.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.77
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,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
The IUPAC name of (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid (CID 58902910) is (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid.
What is the SMILES notation for (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
The canonical SMILES for (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid is C/C(=C\CCC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
The InChIKey is HGTKASOQYZJBCR-KGZWWPETSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-13(2)22(14(3)4,15(5)6)21-17(8)12-16(7)10-9-11-18(19)20/h10,13-15,17H,9,11-12H2,1-8H3,(H,19,20)/b16-10+/t17-/m0/s1.
What are the key properties of (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid has a molecular weight of 328.57 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid is sourced from PubChem (CID 58902910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).