(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid

C14H24O3Si — CID 146162044

IUPAC(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid
SMILESC#C[C@@H](C/C=C(\C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O3Si/c1-8-12(10-9-11(2)13(15)16)17-18(6,7)14(3,4)5/h1,9,12H,10H2,2-7H3,(H,15,16)/b11-9+/t12-/m0/s1
InChIKeyGNENRAQXONVWKZ-ZKQHCESOSA-N
MW268.43 g/mol
LogP3.43
Rot. Bonds5

About (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid (PubChem CID 146162044) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid.

Molecular Properties

Compound Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid
PubChem CID146162044
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid
SMILESC#C[C@@H](C/C=C(\C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O3Si/c1-8-12(10-9-11(2)13(15)16)17-18(6,7)14(3,4)5/h1,9,12H,10H2,2-7H3,(H,15,16)/b11-9+/t12-/m0/s1
InChIKeyGNENRAQXONVWKZ-ZKQHCESOSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-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 (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid?
The IUPAC name of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid (CID 146162044) is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid.
What is the SMILES notation for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid?
The canonical SMILES for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid is C#C[C@@H](C/C=C(\C)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid?
The InChIKey is GNENRAQXONVWKZ-ZKQHCESOSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-8-12(10-9-11(2)13(15)16)17-18(6,7)14(3,4)5/h1,9,12H,10H2,2-7H3,(H,15,16)/b11-9+/t12-/m0/s1.
What are the key properties of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid?
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid has a molecular weight of 268.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-6-ynoic acid is sourced from PubChem (CID 146162044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).