dimethyl(silyloxy)silane;hept-2-enoic acid

C9H22O3Si2 — CID 173254740

IUPACdimethyl(silyloxy)silane;hept-2-enoic acid
SMILESCCCCC=CC(=O)O.C[SiH](C)O[SiH3]
InChIInChI=1S/C7H12O2.C2H10OSi2/c1-2-3-4-5-6-7(8)9;1-5(2)3-4/h5-6H,2-4H2,1H3,(H,8,9);5H,1-2,4H3
InChIKeyMANWHECZXAGKGZ-UHFFFAOYSA-N
MW234.44 g/mol
LogP1.08
Rot. Bonds5

About dimethyl(silyloxy)silane;hept-2-enoic acid

dimethyl(silyloxy)silane;hept-2-enoic acid (PubChem CID 173254740) has the molecular formula C9H22O3Si2 and a molecular weight of 234.44 g/mol. Its IUPAC name is dimethyl(silyloxy)silane;hept-2-enoic acid.

Molecular Properties

Compound Namedimethyl(silyloxy)silane;hept-2-enoic acid
PubChem CID173254740
Molecular FormulaC9H22O3Si2
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Namedimethyl(silyloxy)silane;hept-2-enoic acid
SMILESCCCCC=CC(=O)O.C[SiH](C)O[SiH3]
InChIInChI=1S/C7H12O2.C2H10OSi2/c1-2-3-4-5-6-7(8)9;1-5(2)3-4/h5-6H,2-4H2,1H3,(H,8,9);5H,1-2,4H3
InChIKeyMANWHECZXAGKGZ-UHFFFAOYSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 158204021
CID 158204021
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
cyclopentane;(E)-hept-2-enoic acid
CID 66887361
(Z)-oct-2-enoic acid
CID 5282713
undec-2-enoic acid
CID 519180
iron;(E)-oct-2-enoic acid
CID 89456364
(E)-oct-2-enoic acid;zirconium
CID 89456417
octadeca-2,11,13-trienoic acid
CID 173322272
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761

Frequently Asked Questions

What is the IUPAC name of dimethyl(silyloxy)silane;hept-2-enoic acid?
The IUPAC name of dimethyl(silyloxy)silane;hept-2-enoic acid (CID 173254740) is dimethyl(silyloxy)silane;hept-2-enoic acid.
What is the SMILES notation for dimethyl(silyloxy)silane;hept-2-enoic acid?
The canonical SMILES for dimethyl(silyloxy)silane;hept-2-enoic acid is CCCCC=CC(=O)O.C[SiH](C)O[SiH3].
What is the InChIKey of dimethyl(silyloxy)silane;hept-2-enoic acid?
The InChIKey is MANWHECZXAGKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C2H10OSi2/c1-2-3-4-5-6-7(8)9;1-5(2)3-4/h5-6H,2-4H2,1H3,(H,8,9);5H,1-2,4H3.
What are the key properties of dimethyl(silyloxy)silane;hept-2-enoic acid?
dimethyl(silyloxy)silane;hept-2-enoic acid has a molecular weight of 234.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(silyloxy)silane;hept-2-enoic acid is sourced from PubChem (CID 173254740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).