(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid

C18H32O3Si — CID 91218731

IUPAC(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid
SMILESCC(=CC#CC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H32O3Si/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,12H2,1-8H3,(H,19,20)/t17-/m0/s1
InChIKeyFHVYJQOFSSBYDZ-KRWDZBQOSA-N
MW324.54 g/mol
LogP4.99
Rot. Bonds7

About (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid

(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid (PubChem CID 91218731) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid.

Molecular Properties

Compound Name(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid
PubChem CID91218731
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid
SMILESCC(=CC#CC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H32O3Si/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,12H2,1-8H3,(H,19,20)/t17-/m0/s1
InChIKeyFHVYJQOFSSBYDZ-KRWDZBQOSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.99
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'}

Analyze (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid?
The IUPAC name of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid (CID 91218731) is (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid.
What is the SMILES notation for (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid?
The canonical SMILES for (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid is CC(=CC#CC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid?
The InChIKey is FHVYJQOFSSBYDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H32O3Si/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,12H2,1-8H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid?
(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid has a molecular weight of 324.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid is sourced from PubChem (CID 91218731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).