tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane

C22H38O3Si — CID 10762231

IUPACtert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](CCC#CC1COC(C)(C)OC1)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38O3Si/c1-10-19(20(11-2)25-26(8,9)21(3,4)5)15-13-12-14-18-16-23-22(6,7)24-17-18/h10-11,18-20H,1-2,13,15-17H2,3-9H3/t19-,20+/m1/s1
InChIKeyJBTOGUQZUSSEDN-UXHICEINSA-N
MW378.63 g/mol
LogP5.55
Rot. Bonds7

About tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane (PubChem CID 10762231) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
PubChem CID10762231
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Nametert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](CCC#CC1COC(C)(C)OC1)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38O3Si/c1-10-19(20(11-2)25-26(8,9)21(3,4)5)15-13-12-14-18-16-23-22(6,7)24-17-18/h10-11,18-20H,1-2,13,15-17H2,3-9H3/t19-,20+/m1/s1
InChIKeyJBTOGUQZUSSEDN-UXHICEINSA-N
XLogP5.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
CID 11326882
tri(propan-2-yl)-[(1R)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10498503
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10500135
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10619947
tri(propan-2-yl)-[(1R)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10642035
[(1R)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10643650
tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10689649
[(1R)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10691337
2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane
CID 10732443
tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10784517
tert-butyl-[[(4R,5R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 11012044
tert-butyl-[2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 11130387

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane (CID 10762231) is tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane is C=C[C@H](CCC#CC1COC(C)(C)OC1)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The InChIKey is JBTOGUQZUSSEDN-UXHICEINSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-10-19(20(11-2)25-26(8,9)21(3,4)5)15-13-12-14-18-16-23-22(6,7)24-17-18/h10-11,18-20H,1-2,13,15-17H2,3-9H3/t19-,20+/m1/s1.
What are the key properties of tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane has a molecular weight of 378.63 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10762231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).