2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid

C10H18O3Si — CID 123268488

IUPAC2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C10H18O3Si/c1-8(9(11)12)10(14(2)3)6-4-5-7-13-10/h14H,1,4-7H2,2-3H3,(H,11,12)
InChIKeyWKYAHZRLSOKXPH-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid

2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid (PubChem CID 123268488) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid
PubChem CID123268488
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C10H18O3Si/c1-8(9(11)12)10(14(2)3)6-4-5-7-13-10/h14H,1,4-7H2,2-3H3,(H,11,12)
InChIKeyWKYAHZRLSOKXPH-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid?
The IUPAC name of 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid (CID 123268488) is 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid?
The canonical SMILES for 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid is C=C(C(=O)O)C1([SiH](C)C)CCCCO1.
What is the InChIKey of 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid?
The InChIKey is WKYAHZRLSOKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-8(9(11)12)10(14(2)3)6-4-5-7-13-10/h14H,1,4-7H2,2-3H3,(H,11,12).
What are the key properties of 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid?
2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid has a molecular weight of 214.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dimethylsilyloxan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 123268488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).