tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane

C21H38OSi — CID 173483439

IUPACtert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane
SMILESCC#CC=C/C=C\[C@@H](C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38OSi/c1-9-11-13-14-16-17-19(3)20(18-15-12-10-2)22-23(7,8)21(4,5)6/h13-14,16-17,19-20H,10,12,15,18H2,1-8H3/b14-13?,17-16-/t19-,20+/m1/s1
InChIKeyVXLRIZBCCNLLES-PPKXKJTFSA-N
MW334.62 g/mol
LogP6.73
Rot. Bonds9

About tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane

tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane (PubChem CID 173483439) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane
PubChem CID173483439
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane
SMILESCC#CC=C/C=C\[C@@H](C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38OSi/c1-9-11-13-14-16-17-19(3)20(18-15-12-10-2)22-23(7,8)21(4,5)6/h13-14,16-17,19-20H,10,12,15,18H2,1-8H3/b14-13?,17-16-/t19-,20+/m1/s1
InChIKeyVXLRIZBCCNLLES-PPKXKJTFSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.73
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'}

Analyze tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

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tert-butyl-dimethyl-pentadecan-2-yloxysilane
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tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
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(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate
CID 10548569
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane (CID 173483439) is tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane is CC#CC=C/C=C\[C@@H](C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane?
The InChIKey is VXLRIZBCCNLLES-PPKXKJTFSA-N. The full InChI is InChI=1S/C21H38OSi/c1-9-11-13-14-16-17-19(3)20(18-15-12-10-2)22-23(7,8)21(4,5)6/h13-14,16-17,19-20H,10,12,15,18H2,1-8H3/b14-13?,17-16-/t19-,20+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane?
tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane has a molecular weight of 334.62 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane is sourced from PubChem (CID 173483439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).