1-dibutoxysilyloxybutan-2-yl prop-2-enoate

C15H30O5Si — CID 175242964

IUPAC1-dibutoxysilyloxybutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CO[SiH](OCCCC)OCCCC
InChIInChI=1S/C15H30O5Si/c1-5-9-11-17-21(18-12-10-6-2)19-13-14(7-3)20-15(16)8-4/h8,14,21H,4-7,9-13H2,1-3H3
InChIKeySPMDFZIFBBYKHW-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.86
Rot. Bonds14

About 1-dibutoxysilyloxybutan-2-yl prop-2-enoate

1-dibutoxysilyloxybutan-2-yl prop-2-enoate (PubChem CID 175242964) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-dibutoxysilyloxybutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-dibutoxysilyloxybutan-2-yl prop-2-enoate
PubChem CID175242964
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name1-dibutoxysilyloxybutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CO[SiH](OCCCC)OCCCC
InChIInChI=1S/C15H30O5Si/c1-5-9-11-17-21(18-12-10-6-2)19-13-14(7-3)20-15(16)8-4/h8,14,21H,4-7,9-13H2,1-3H3
InChIKeySPMDFZIFBBYKHW-UHFFFAOYSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.86
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-dimethylsilyloxybutan-2-yl prop-2-enoate
CID 173371383
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
dodecan-3-yl prop-2-enoate
CID 543279
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate
CID 123684562
1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
CID 138707568
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
1-(dodecyltrisulfanyl)butan-2-yl prop-2-enoate
CID 174330604
tridecan-5-yl prop-2-enoate
CID 141073146

Frequently Asked Questions

What is the IUPAC name of 1-dibutoxysilyloxybutan-2-yl prop-2-enoate?
The IUPAC name of 1-dibutoxysilyloxybutan-2-yl prop-2-enoate (CID 175242964) is 1-dibutoxysilyloxybutan-2-yl prop-2-enoate.
What is the SMILES notation for 1-dibutoxysilyloxybutan-2-yl prop-2-enoate?
The canonical SMILES for 1-dibutoxysilyloxybutan-2-yl prop-2-enoate is C=CC(=O)OC(CC)CO[SiH](OCCCC)OCCCC.
What is the InChIKey of 1-dibutoxysilyloxybutan-2-yl prop-2-enoate?
The InChIKey is SPMDFZIFBBYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-5-9-11-17-21(18-12-10-6-2)19-13-14(7-3)20-15(16)8-4/h8,14,21H,4-7,9-13H2,1-3H3.
What are the key properties of 1-dibutoxysilyloxybutan-2-yl prop-2-enoate?
1-dibutoxysilyloxybutan-2-yl prop-2-enoate has a molecular weight of 318.49 g/mol, XLogP of 2.86, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutoxysilyloxybutan-2-yl prop-2-enoate is sourced from PubChem (CID 175242964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).