acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane

C24H54O4Si — CID 161351298

IUPACacetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane
SMILESC.C.C/C=C/CCCCO.C/C=C/CCCCO[Si](C)(C)C(C)(C)C.CC(=O)O
InChIInChI=1S/C13H28OSi.C7H14O.C2H4O2.2CH4/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4;1-2-3-4-5-6-7-8;1-2(3)4;;/h7-8H,9-12H2,1-6H3;2-3,8H,4-7H2,1H3;1H3,(H,3,4);2*1H4/b8-7+;3-2+;;;
InChIKeyGXERGQZBWFVOIY-LJUWDBGQSA-N
MW434.78 g/mol
LogP7.84
Rot. Bonds10

About acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane

acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane (PubChem CID 161351298) has the molecular formula C24H54O4Si and a molecular weight of 434.78 g/mol. Its IUPAC name is acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane.

Molecular Properties

Compound Nameacetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane
PubChem CID161351298
Molecular FormulaC24H54O4Si
Molecular Weight434.78 g/mol
Exact Mass434.38
IUPAC Nameacetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane
SMILESC.C.C/C=C/CCCCO.C/C=C/CCCCO[Si](C)(C)C(C)(C)C.CC(=O)O
InChIInChI=1S/C13H28OSi.C7H14O.C2H4O2.2CH4/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4;1-2-3-4-5-6-7-8;1-2(3)4;;/h7-8H,9-12H2,1-6H3;2-3,8H,4-7H2,1H3;1H3,(H,3,4);2*1H4/b8-7+;3-2+;;;
InChIKeyGXERGQZBWFVOIY-LJUWDBGQSA-N
XLogP7.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane 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

methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate
CID 46180430
5,8,11,14-Eicosatetraenoic acid, 20-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (5Z,8Z,11Z,14Z)-
CID 125304815
20-[Tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid
CID 146156455

Frequently Asked Questions

What is the IUPAC name of acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane?
The IUPAC name of acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane (CID 161351298) is acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane.
What is the SMILES notation for acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane?
The canonical SMILES for acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane is C.C.C/C=C/CCCCO.C/C=C/CCCCO[Si](C)(C)C(C)(C)C.CC(=O)O.
What is the InChIKey of acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane?
The InChIKey is GXERGQZBWFVOIY-LJUWDBGQSA-N. The full InChI is InChI=1S/C13H28OSi.C7H14O.C2H4O2.2CH4/c1-7-8-9-10-11-12-14-15(5,6)13(2,3)4;1-2-3-4-5-6-7-8;1-2(3)4;;/h7-8H,9-12H2,1-6H3;2-3,8H,4-7H2,1H3;1H3,(H,3,4);2*1H4/b8-7+;3-2+;;;.
What are the key properties of acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane?
acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane has a molecular weight of 434.78 g/mol, XLogP of 7.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane is sourced from PubChem (CID 161351298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).