tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane

C14H26O2Si — CID 11299800

IUPACtert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
SMILESC#CCO[C@H](C=C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-9-11-15-13(10-2)12(3)16-17(7,8)14(4,5)6/h1,10,12-13H,2,11H2,3-8H3/t12-,13+/m0/s1
InChIKeySMZHLSXICQIGIU-QWHCGFSZSA-N
MW254.45 g/mol
LogP3.60
Rot. Bonds6

About tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane (PubChem CID 11299800) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
PubChem CID11299800
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
SMILESC#CCO[C@H](C=C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-9-11-15-13(10-2)12(3)16-17(7,8)14(4,5)6/h1,10,12-13H,2,11H2,3-8H3/t12-,13+/m0/s1
InChIKeySMZHLSXICQIGIU-QWHCGFSZSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
CID 137252816
CID 137252816
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233
(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N,N-diethyloct-1-en-7-yn-4-amine
CID 70678065
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 91038666
(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol
CID 44557469
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
CID 134860012

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane (CID 11299800) is tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane is C#CCO[C@H](C=C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane?
The InChIKey is SMZHLSXICQIGIU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-9-11-15-13(10-2)12(3)16-17(7,8)14(4,5)6/h1,10,12-13H,2,11H2,3-8H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane has a molecular weight of 254.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane is sourced from PubChem (CID 11299800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).