2-dibutoxysilylprop-2-enoic acid

C11H22O4Si — CID 175359533

IUPAC2-dibutoxysilylprop-2-enoic acid
SMILESC=C(C(=O)O)[SiH](OCCCC)OCCCC
InChIInChI=1S/C11H22O4Si/c1-4-6-8-14-16(10(3)11(12)13)15-9-7-5-2/h16H,3-9H2,1-2H3,(H,12,13)
InChIKeySUIBILJCJNFICM-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.02
Rot. Bonds10

About 2-dibutoxysilylprop-2-enoic acid

2-dibutoxysilylprop-2-enoic acid (PubChem CID 175359533) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-dibutoxysilylprop-2-enoic acid.

Molecular Properties

Compound Name2-dibutoxysilylprop-2-enoic acid
PubChem CID175359533
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name2-dibutoxysilylprop-2-enoic acid
SMILESC=C(C(=O)O)[SiH](OCCCC)OCCCC
InChIInChI=1S/C11H22O4Si/c1-4-6-8-14-16(10(3)11(12)13)15-9-7-5-2/h16H,3-9H2,1-2H3,(H,12,13)
InChIKeySUIBILJCJNFICM-UHFFFAOYSA-N
XLogP2.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(butoxymethyl)prop-2-enoic acid
CID 23505124
2-butoxycarbonylprop-2-enoic acid
CID 18618552
butyl 2-hydroxyprop-2-enoate
CID 18317140
2-butylperoxy-3-methylidenebutanedioic acid
CID 19387422
CID 87196642
CID 87196642
3-butoxy-3-ethyl-2-methylidenepentanoic acid
CID 87115747
acetic acid;1-butoxybutane
CID 22256220
butyl hydrogen carbonate
CID 157271096
2-methylprop-2-enoic acid;octacosane
CID 158715869
oxalic acid;pentane
CID 158926498
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
(3-butoxy-3-oxoprop-1-en-2-yl)-trimethylazanium
CID 57170185

Frequently Asked Questions

What is the IUPAC name of 2-dibutoxysilylprop-2-enoic acid?
The IUPAC name of 2-dibutoxysilylprop-2-enoic acid (CID 175359533) is 2-dibutoxysilylprop-2-enoic acid.
What is the SMILES notation for 2-dibutoxysilylprop-2-enoic acid?
The canonical SMILES for 2-dibutoxysilylprop-2-enoic acid is C=C(C(=O)O)[SiH](OCCCC)OCCCC.
What is the InChIKey of 2-dibutoxysilylprop-2-enoic acid?
The InChIKey is SUIBILJCJNFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-4-6-8-14-16(10(3)11(12)13)15-9-7-5-2/h16H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 2-dibutoxysilylprop-2-enoic acid?
2-dibutoxysilylprop-2-enoic acid has a molecular weight of 246.38 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibutoxysilylprop-2-enoic acid is sourced from PubChem (CID 175359533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).