butyl-dimethyl-prop-2-ynoxysilane

C9H18OSi — CID 87110652

IUPACbutyl-dimethyl-prop-2-ynoxysilane
SMILESC#CCO[Si](C)(C)CCCC
InChIInChI=1S/C9H18OSi/c1-5-7-9-11(3,4)10-8-6-2/h2H,5,7-9H2,1,3-4H3
InChIKeyHHKCJHITCPABHX-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.64
Rot. Bonds5

About butyl-dimethyl-prop-2-ynoxysilane

butyl-dimethyl-prop-2-ynoxysilane (PubChem CID 87110652) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is butyl-dimethyl-prop-2-ynoxysilane.

Molecular Properties

Compound Namebutyl-dimethyl-prop-2-ynoxysilane
PubChem CID87110652
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Namebutyl-dimethyl-prop-2-ynoxysilane
SMILESC#CCO[Si](C)(C)CCCC
InChIInChI=1S/C9H18OSi/c1-5-7-9-11(3,4)10-8-6-2/h2H,5,7-9H2,1,3-4H3
InChIKeyHHKCJHITCPABHX-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butyl-dimethyl-octoxysilane
CID 604386
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
3-[butyl(dimethyl)silyl]oxy-2-methylpropan-1-amine
CID 87312720
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
butyl-diethynyl-methylsilane
CID 139796020
[butyl(dimethyl)silyl] hypochlorite
CID 70356741
6-bromohexoxy-butyl-dimethylsilane
CID 154264730
hexadecoxy-dimethyl-octylsilane
CID 627002
dodecoxy-dimethyl-octylsilane
CID 618139
3-bromopropyl-butoxy-dimethylsilane
CID 140743893
butyl-dimethyl-(2-phenylethoxy)silane
CID 601576

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-prop-2-ynoxysilane?
The IUPAC name of butyl-dimethyl-prop-2-ynoxysilane (CID 87110652) is butyl-dimethyl-prop-2-ynoxysilane.
What is the SMILES notation for butyl-dimethyl-prop-2-ynoxysilane?
The canonical SMILES for butyl-dimethyl-prop-2-ynoxysilane is C#CCO[Si](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-prop-2-ynoxysilane?
The InChIKey is HHKCJHITCPABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-7-9-11(3,4)10-8-6-2/h2H,5,7-9H2,1,3-4H3.
What are the key properties of butyl-dimethyl-prop-2-ynoxysilane?
butyl-dimethyl-prop-2-ynoxysilane has a molecular weight of 170.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-prop-2-ynoxysilane is sourced from PubChem (CID 87110652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).