2-chlorobutoxysilane

C4H11ClOSi — CID 173033946

IUPAC2-chlorobutoxysilane
SMILESCCC(Cl)CO[SiH3]
InChIInChI=1S/C4H11ClOSi/c1-2-4(5)3-6-7/h4H,2-3H2,1,7H3
InChIKeyQYMNEVPQSQWEAO-UHFFFAOYSA-N
MW138.67 g/mol
LogP0.30
Rot. Bonds3

About 2-chlorobutoxysilane

2-chlorobutoxysilane (PubChem CID 173033946) has the molecular formula C4H11ClOSi and a molecular weight of 138.67 g/mol. Its IUPAC name is 2-chlorobutoxysilane.

Molecular Properties

Compound Name2-chlorobutoxysilane
PubChem CID173033946
Molecular FormulaC4H11ClOSi
Molecular Weight138.67 g/mol
Exact Mass138.03
IUPAC Name2-chlorobutoxysilane
SMILESCCC(Cl)CO[SiH3]
InChIInChI=1S/C4H11ClOSi/c1-2-4(5)3-6-7/h4H,2-3H2,1,7H3
InChIKeyQYMNEVPQSQWEAO-UHFFFAOYSA-N
XLogP0.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.67
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Chloropropyltrimethoxysiloxane
CID 129763015
3-(Chloropropyl)trimethoxysilane
CID 129832096
3-Cloropropyltrimethoxysilan
CID 129831727
4-Chlorobutoxysilane
CID 123468178
Bis(1-chloropropoxy)silane
CID 123696543
1-Chloropropoxysilane
CID 123834424
3-Chloropropoxy(diethoxy)silane
CID 123885341
CID 145825549
CID 145825549
Dibutoxy(2-chloroethoxy)silane
CID 154108793
2-Chloropropoxysilane
CID 154197021
4-Chlorobutoxy(dimethoxy)silane
CID 154506663
3-Chloropropoxy(propoxy)silane
CID 154510497

Frequently Asked Questions

What is the IUPAC name of 2-chlorobutoxysilane?
The IUPAC name of 2-chlorobutoxysilane (CID 173033946) is 2-chlorobutoxysilane.
What is the SMILES notation for 2-chlorobutoxysilane?
The canonical SMILES for 2-chlorobutoxysilane is CCC(Cl)CO[SiH3].
What is the InChIKey of 2-chlorobutoxysilane?
The InChIKey is QYMNEVPQSQWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClOSi/c1-2-4(5)3-6-7/h4H,2-3H2,1,7H3.
What are the key properties of 2-chlorobutoxysilane?
2-chlorobutoxysilane has a molecular weight of 138.67 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobutoxysilane is sourced from PubChem (CID 173033946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).