CID 177132586

C8H15O3Si — CID 177132586

IUPAC—
SMILESC=CC(=O)OC(CC)[Si](O)CC
InChIInChI=1S/C8H15O3Si/c1-4-7(9)11-8(5-2)12(10)6-3/h4,8,10H,1,5-6H2,2-3H3
InChIKeyPXNNLUFBUVMHBQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.04
Rot. Bonds5

About CID 177132586

CID 177132586 (PubChem CID 177132586) has the molecular formula C8H15O3Si and a molecular weight of 187.29 g/mol.

Molecular Properties

Compound NameCID 177132586
PubChem CID177132586
Molecular FormulaC8H15O3Si
Molecular Weight187.29 g/mol
Exact Mass187.08
IUPAC Name—
SMILESC=CC(=O)OC(CC)[Si](O)CC
InChIInChI=1S/C8H15O3Si/c1-4-7(9)11-8(5-2)12(10)6-3/h4,8,10H,1,5-6H2,2-3H3
InChIKeyPXNNLUFBUVMHBQ-UHFFFAOYSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 170564806
CID 170564806
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
CID 172734708
CID 172734708
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
1-aminopropyl prop-2-enoate;butane
CID 87190109
azane;4-oxo-4-(1-prop-2-enoyloxypropoxy)but-2-enoic acid
CID 173170823
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
2-hydroxysilyloxypentan-3-yl prop-2-enoate
CID 174938175
1-butan-2-ylsulfanylethyl prop-2-enoate
CID 146302842

Frequently Asked Questions

What is the IUPAC name of CID 177132586?
The IUPAC name of CID 177132586 (CID 177132586) is not available.
What is the SMILES notation for CID 177132586?
The canonical SMILES for CID 177132586 is C=CC(=O)OC(CC)[Si](O)CC.
What is the InChIKey of CID 177132586?
The InChIKey is PXNNLUFBUVMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3Si/c1-4-7(9)11-8(5-2)12(10)6-3/h4,8,10H,1,5-6H2,2-3H3.
What are the key properties of CID 177132586?
CID 177132586 has a molecular weight of 187.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177132586 is sourced from PubChem (CID 177132586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).