(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid

C15H26O3Si — CID 10924033

IUPAC(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
SMILESC/C(=C\C#CC(=O)O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-12(9-8-10-14(16)17)11-13(2)18-19(6,7)15(3,4)5/h9,13H,11H2,1-7H3,(H,16,17)/b12-9+/t13-/m0/s1
InChIKeyHVHMRMGSFBRSAP-SRXBQZRASA-N
MW282.46 g/mol
LogP3.82
Rot. Bonds4

About (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid

(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid (PubChem CID 10924033) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid.

Molecular Properties

Compound Name(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
PubChem CID10924033
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
SMILESC/C(=C\C#CC(=O)O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-12(9-8-10-14(16)17)11-13(2)18-19(6,7)15(3,4)5/h9,13H,11H2,1-7H3,(H,16,17)/b12-9+/t13-/m0/s1
InChIKeyHVHMRMGSFBRSAP-SRXBQZRASA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.82
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 (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-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

Related Compounds

3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
CID 76827468
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
CID 123455813
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645

Frequently Asked Questions

What is the IUPAC name of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid?
The IUPAC name of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid (CID 10924033) is (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid.
What is the SMILES notation for (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid?
The canonical SMILES for (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid is C/C(=C\C#CC(=O)O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid?
The InChIKey is HVHMRMGSFBRSAP-SRXBQZRASA-N. The full InChI is InChI=1S/C15H26O3Si/c1-12(9-8-10-14(16)17)11-13(2)18-19(6,7)15(3,4)5/h9,13H,11H2,1-7H3,(H,16,17)/b12-9+/t13-/m0/s1.
What are the key properties of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid?
(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid has a molecular weight of 282.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid is sourced from PubChem (CID 10924033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).