hex-4-yn-3-yloxy-dimethyl-propoxysilane

C11H22O2Si — CID 91728794

IUPAChex-4-yn-3-yloxy-dimethyl-propoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCC
InChIInChI=1S/C11H22O2Si/c1-6-9-11(8-3)13-14(4,5)12-10-7-2/h11H,7-8,10H2,1-5H3
InChIKeySSSHWSIYHKMTMF-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.93
Rot. Bonds6

About hex-4-yn-3-yloxy-dimethyl-propoxysilane

hex-4-yn-3-yloxy-dimethyl-propoxysilane (PubChem CID 91728794) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-propoxysilane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-dimethyl-propoxysilane
PubChem CID91728794
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Namehex-4-yn-3-yloxy-dimethyl-propoxysilane
SMILESCC#CC(CC)O[Si](C)(C)OCCC
InChIInChI=1S/C11H22O2Si/c1-6-9-11(8-3)13-14(4,5)12-10-7-2/h11H,7-8,10H2,1-5H3
InChIKeySSSHWSIYHKMTMF-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, dimethylbis(1-methylethoxy)-
CID 79682
3-(Trimethylsilyloxy)-1-butyne
CID 28817
2-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
Methyltris(1-methylethoxy)silane
CID 79693
Dimethyl[bis(1-methylpropoxy)]silane
CID 21903310
[(2S)-but-3-yn-2-yl]oxy-trimethylsilane
CID 10953626
3,8-Dioxa-2,9-disiladec-5-yne, 2,2,9,9-tetramethyl-
CID 589995
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]oxysilane
CID 10997990
tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867152
(R)-tert-butyldimethyl(pent-4-yn-2-yloxy)silane
CID 10910507
(3R)-3-(tert-butyl(dimethyl)silyl)oxy-1-butyne
CID 11030608
4-Dimethylsiloxy-1,6-heptadiyne
CID 11332679

Frequently Asked Questions

What is the IUPAC name of hex-4-yn-3-yloxy-dimethyl-propoxysilane?
The IUPAC name of hex-4-yn-3-yloxy-dimethyl-propoxysilane (CID 91728794) is hex-4-yn-3-yloxy-dimethyl-propoxysilane.
What is the SMILES notation for hex-4-yn-3-yloxy-dimethyl-propoxysilane?
The canonical SMILES for hex-4-yn-3-yloxy-dimethyl-propoxysilane is CC#CC(CC)O[Si](C)(C)OCCC.
What is the InChIKey of hex-4-yn-3-yloxy-dimethyl-propoxysilane?
The InChIKey is SSSHWSIYHKMTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-9-11(8-3)13-14(4,5)12-10-7-2/h11H,7-8,10H2,1-5H3.
What are the key properties of hex-4-yn-3-yloxy-dimethyl-propoxysilane?
hex-4-yn-3-yloxy-dimethyl-propoxysilane has a molecular weight of 214.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yn-3-yloxy-dimethyl-propoxysilane is sourced from PubChem (CID 91728794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).