dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate

C18H36O5Si — CID 175295054

IUPACdibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate
SMILESCCCCOC(OCCCC)OC(=O)C(C)=CCCC[SiH2]OCC
InChIInChI=1S/C18H36O5Si/c1-5-8-13-20-18(21-14-9-6-2)23-17(19)16(4)12-10-11-15-24-22-7-3/h12,18H,5-11,13-15,24H2,1-4H3
InChIKeySKZJXILWXXVRBD-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.71
Rot. Bonds16

About dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate

dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate (PubChem CID 175295054) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate.

Molecular Properties

Compound Namedibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate
PubChem CID175295054
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Namedibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate
SMILESCCCCOC(OCCCC)OC(=O)C(C)=CCCC[SiH2]OCC
InChIInChI=1S/C18H36O5Si/c1-5-8-13-20-18(21-14-9-6-2)23-17(19)16(4)12-10-11-15-24-22-7-3/h12,18H,5-11,13-15,24H2,1-4H3
InChIKeySKZJXILWXXVRBD-UHFFFAOYSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate?
The IUPAC name of dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate (CID 175295054) is dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate.
What is the SMILES notation for dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate?
The canonical SMILES for dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate is CCCCOC(OCCCC)OC(=O)C(C)=CCCC[SiH2]OCC.
What is the InChIKey of dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate?
The InChIKey is SKZJXILWXXVRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-5-8-13-20-18(21-14-9-6-2)23-17(19)16(4)12-10-11-15-24-22-7-3/h12,18H,5-11,13-15,24H2,1-4H3.
What are the key properties of dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate?
dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate has a molecular weight of 360.57 g/mol, XLogP of 3.71, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate is sourced from PubChem (CID 175295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).