tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane

C19H34OSi — CID 134884613

IUPACtert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane
SMILESC#CC[C@H](/C=C/C=C\CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-8-10-11-12-13-14-15-17-18(16-9-2)20-21(6,7)19(3,4)5/h2,13-15,17-18H,8,10-12,16H2,1,3-7H3/b14-13-,17-15+/t18-/m1/s1
InChIKeyGYHZCUJVLVBKNP-LGHCWICMSA-N
MW306.57 g/mol
LogP6.09
Rot. Bonds9

About tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane (PubChem CID 134884613) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane
PubChem CID134884613
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane
SMILESC#CC[C@H](/C=C/C=C\CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-8-10-11-12-13-14-15-17-18(16-9-2)20-21(6,7)19(3,4)5/h2,13-15,17-18H,8,10-12,16H2,1,3-7H3/b14-13-,17-15+/t18-/m1/s1
InChIKeyGYHZCUJVLVBKNP-LGHCWICMSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 5353195
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[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
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triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
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tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
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tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866067
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143
tert-butyl-[(6E,8E)-deca-1,6,8-trien-5-yl]oxy-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane (CID 134884613) is tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane is C#CC[C@H](/C=C/C=C\CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane?
The InChIKey is GYHZCUJVLVBKNP-LGHCWICMSA-N. The full InChI is InChI=1S/C19H34OSi/c1-8-10-11-12-13-14-15-17-18(16-9-2)20-21(6,7)19(3,4)5/h2,13-15,17-18H,8,10-12,16H2,1,3-7H3/b14-13-,17-15+/t18-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane has a molecular weight of 306.57 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane is sourced from PubChem (CID 134884613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).