1-chloropropyl(triethoxy)silane;ethanol

C11H27ClO4Si — CID 174653765

IUPAC1-chloropropyl(triethoxy)silane;ethanol
SMILESCCO.CCO[Si](OCC)(OCC)C(Cl)CC
InChIInChI=1S/C9H21ClO3Si.C2H6O/c1-5-9(10)14(11-6-2,12-7-3)13-8-4;1-2-3/h9H,5-8H2,1-4H3;3H,2H2,1H3
InChIKeySHJGFVKRVIFKEP-UHFFFAOYSA-N
MW286.87 g/mol
LogP2.59
Rot. Bonds8

About 1-chloropropyl(triethoxy)silane;ethanol

1-chloropropyl(triethoxy)silane;ethanol (PubChem CID 174653765) has the molecular formula C11H27ClO4Si and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-chloropropyl(triethoxy)silane;ethanol.

Molecular Properties

Compound Name1-chloropropyl(triethoxy)silane;ethanol
PubChem CID174653765
Molecular FormulaC11H27ClO4Si
Molecular Weight286.87 g/mol
Exact Mass286.14
IUPAC Name1-chloropropyl(triethoxy)silane;ethanol
SMILESCCO.CCO[Si](OCC)(OCC)C(Cl)CC
InChIInChI=1S/C9H21ClO3Si.C2H6O/c1-5-9(10)14(11-6-2,12-7-3)13-8-4;1-2-3/h9H,5-8H2,1-4H3;3H,2H2,1H3
InChIKeySHJGFVKRVIFKEP-UHFFFAOYSA-N
XLogP2.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloroform;ethanol
CID 173257897
chloroform;ethanol;ethoxyethane
CID 87752781
1-triethoxysilylpropyl thiohypochlorite
CID 175012038
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
ethanol;tetrachlorosilane;trichloro(ethoxy)silane;hydrochloride
CID 161444026
2-triethoxysilylpropanoate
CID 22068871
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
O-methyl 2-triethoxysilylpropanethioate
CID 141147284
[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
CID 102409474
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
ethoxy(trihydroxy)silane;phosphane
CID 174965981
1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine
CID 88532046

Frequently Asked Questions

What is the IUPAC name of 1-chloropropyl(triethoxy)silane;ethanol?
The IUPAC name of 1-chloropropyl(triethoxy)silane;ethanol (CID 174653765) is 1-chloropropyl(triethoxy)silane;ethanol.
What is the SMILES notation for 1-chloropropyl(triethoxy)silane;ethanol?
The canonical SMILES for 1-chloropropyl(triethoxy)silane;ethanol is CCO.CCO[Si](OCC)(OCC)C(Cl)CC.
What is the InChIKey of 1-chloropropyl(triethoxy)silane;ethanol?
The InChIKey is SHJGFVKRVIFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3Si.C2H6O/c1-5-9(10)14(11-6-2,12-7-3)13-8-4;1-2-3/h9H,5-8H2,1-4H3;3H,2H2,1H3.
What are the key properties of 1-chloropropyl(triethoxy)silane;ethanol?
1-chloropropyl(triethoxy)silane;ethanol has a molecular weight of 286.87 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropyl(triethoxy)silane;ethanol is sourced from PubChem (CID 174653765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).