dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane

C18H30O2Si — CID 150778003

IUPACdibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane
SMILESC=C(C)c1ccccc1[SiH2]C(OCCCC)OCCCC
InChIInChI=1S/C18H30O2Si/c1-5-7-13-19-18(20-14-8-6-2)21-17-12-10-9-11-16(17)15(3)4/h9-12,18H,3,5-8,13-14,21H2,1-2,4H3
InChIKeyKBGPUCMJAYVYAA-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.43
Rot. Bonds11

About dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane

dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane (PubChem CID 150778003) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane.

Molecular Properties

Compound Namedibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane
PubChem CID150778003
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Namedibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane
SMILESC=C(C)c1ccccc1[SiH2]C(OCCCC)OCCCC
InChIInChI=1S/C18H30O2Si/c1-5-7-13-19-18(20-14-8-6-2)21-17-12-10-9-11-16(17)15(3)4/h9-12,18H,3,5-8,13-14,21H2,1-2,4H3
InChIKeyKBGPUCMJAYVYAA-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane?
The IUPAC name of dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane (CID 150778003) is dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane.
What is the SMILES notation for dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane?
The canonical SMILES for dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane is C=C(C)c1ccccc1[SiH2]C(OCCCC)OCCCC.
What is the InChIKey of dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane?
The InChIKey is KBGPUCMJAYVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-5-7-13-19-18(20-14-8-6-2)21-17-12-10-9-11-16(17)15(3)4/h9-12,18H,3,5-8,13-14,21H2,1-2,4H3.
What are the key properties of dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane?
dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane has a molecular weight of 306.52 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxymethyl-(2-prop-1-en-2-ylphenyl)silane is sourced from PubChem (CID 150778003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).