3-chloropropyl-tri(propan-2-yloxy)silane

C12H27ClO3Si — CID 3017246

IUPAC3-chloropropyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCCl)(OC(C)C)OC(C)C
InChIInChI=1S/C12H27ClO3Si/c1-10(2)14-17(9-7-8-13,15-11(3)4)16-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyBBMMYRPBNQOFGU-UHFFFAOYSA-N
MW282.88 g/mol
LogP3.83
Rot. Bonds9

About 3-chloropropyl-tri(propan-2-yloxy)silane

3-chloropropyl-tri(propan-2-yloxy)silane (PubChem CID 3017246) has the molecular formula C12H27ClO3Si and a molecular weight of 282.88 g/mol. Its IUPAC name is 3-chloropropyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-chloropropyl-tri(propan-2-yloxy)silane
PubChem CID3017246
Molecular FormulaC12H27ClO3Si
Molecular Weight282.88 g/mol
Exact Mass282.14
IUPAC Name3-chloropropyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCCl)(OC(C)C)OC(C)C
InChIInChI=1S/C12H27ClO3Si/c1-10(2)14-17(9-7-8-13,15-11(3)4)16-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyBBMMYRPBNQOFGU-UHFFFAOYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3-Chloropropyl)triethoxysilane
CID 78771
(3-Chloropropyl)diethoxymethylsilane
CID 83536
Silane, (2-chloroethyl)triethoxy-
CID 87550
Chloromethyltriisopropoxysilane
CID 16217502
Chlorobutyltriethoxysilane
CID 11831994
(2-Chloropropyl)triethoxysilane
CID 21515787
3-Chloropropyl-ethoxy-dimethoxysilane
CID 53672225
Chloro propyl triethoxysilane
CID 87125618
3,3-Dichloro-propyltriethoxysilane
CID 129764093
Chlorobutylmethyldiethoxysilane
CID 129818990
2-Chloroethyltriisopropoxysilane
CID 87410
1-Chloropropyl(triethoxy)silane
CID 3015478

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-tri(propan-2-yloxy)silane?
The IUPAC name of 3-chloropropyl-tri(propan-2-yloxy)silane (CID 3017246) is 3-chloropropyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 3-chloropropyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 3-chloropropyl-tri(propan-2-yloxy)silane is CC(C)O[Si](CCCCl)(OC(C)C)OC(C)C.
What is the InChIKey of 3-chloropropyl-tri(propan-2-yloxy)silane?
The InChIKey is BBMMYRPBNQOFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO3Si/c1-10(2)14-17(9-7-8-13,15-11(3)4)16-12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-chloropropyl-tri(propan-2-yloxy)silane?
3-chloropropyl-tri(propan-2-yloxy)silane has a molecular weight of 282.88 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 3017246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).