3-chloropropyl diethoxy prop-2-enyl silicate

C10H21ClO6Si — CID 174682643

IUPAC3-chloropropyl diethoxy prop-2-enyl silicate
SMILESC=CCO[Si](OCCCCl)(OOCC)OOCC
InChIInChI=1S/C10H21ClO6Si/c1-4-9-14-18(16-12-5-2,17-13-6-3)15-10-7-8-11/h4H,1,5-10H2,2-3H3
InChIKeyGVPGVVNJALLGLI-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.21
Rot. Bonds13

About 3-chloropropyl diethoxy prop-2-enyl silicate

3-chloropropyl diethoxy prop-2-enyl silicate (PubChem CID 174682643) has the molecular formula C10H21ClO6Si and a molecular weight of 300.81 g/mol. Its IUPAC name is 3-chloropropyl diethoxy prop-2-enyl silicate.

Molecular Properties

Compound Name3-chloropropyl diethoxy prop-2-enyl silicate
PubChem CID174682643
Molecular FormulaC10H21ClO6Si
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC Name3-chloropropyl diethoxy prop-2-enyl silicate
SMILESC=CCO[Si](OCCCCl)(OOCC)OOCC
InChIInChI=1S/C10H21ClO6Si/c1-4-9-14-18(16-12-5-2,17-13-6-3)15-10-7-8-11/h4H,1,5-10H2,2-3H3
InChIKeyGVPGVVNJALLGLI-UHFFFAOYSA-N
XLogP2.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(3-chloropropyl) diethyl silicate
CID 153327959
3-aminopropyl triethoxy silicate
CID 87731521
triethoxy 3-hydroxypropyl silicate
CID 174779946
diethyl bis(prop-2-enyl) silicate
CID 18764501
ethenyl triethoxy silicate
CID 142721539
3-chloropropyl trimethyl silicate
CID 87069699
triethoxy propyl silicate
CID 174508791
tris(3-chloropropyl) methyl silicate
CID 153327963
3-chloropropyl-tris(prop-2-enoxy)silane
CID 86081100
ethyl dimethyl prop-2-enyl silicate
CID 141231651
tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate
CID 15448112
ethenyl diethoxy methyl silicate
CID 87232139

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl diethoxy prop-2-enyl silicate?
The IUPAC name of 3-chloropropyl diethoxy prop-2-enyl silicate (CID 174682643) is 3-chloropropyl diethoxy prop-2-enyl silicate.
What is the SMILES notation for 3-chloropropyl diethoxy prop-2-enyl silicate?
The canonical SMILES for 3-chloropropyl diethoxy prop-2-enyl silicate is C=CCO[Si](OCCCCl)(OOCC)OOCC.
What is the InChIKey of 3-chloropropyl diethoxy prop-2-enyl silicate?
The InChIKey is GVPGVVNJALLGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO6Si/c1-4-9-14-18(16-12-5-2,17-13-6-3)15-10-7-8-11/h4H,1,5-10H2,2-3H3.
What are the key properties of 3-chloropropyl diethoxy prop-2-enyl silicate?
3-chloropropyl diethoxy prop-2-enyl silicate has a molecular weight of 300.81 g/mol, XLogP of 2.21, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl diethoxy prop-2-enyl silicate is sourced from PubChem (CID 174682643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).