tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane

C19H36OSi — CID 173440675

IUPACtert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane
SMILESCCCC#CC=CC(CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-8-10-12-13-15-17-18(16-14-11-9-2)20-21(6,7)19(3,4)5/h15,17-18H,8-11,14,16H2,1-7H3
InChIKeySAOSVCYHKAJGHK-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.32
Rot. Bonds8

About tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane

tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane (PubChem CID 173440675) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane
PubChem CID173440675
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane
SMILESCCCC#CC=CC(CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-8-10-12-13-15-17-18(16-14-11-9-2)20-21(6,7)19(3,4)5/h15,17-18H,8-11,14,16H2,1-7H3
InChIKeySAOSVCYHKAJGHK-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.32
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane?
The IUPAC name of tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane (CID 173440675) is tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane.
What is the SMILES notation for tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane?
The canonical SMILES for tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane is CCCC#CC=CC(CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane?
The InChIKey is SAOSVCYHKAJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-10-12-13-15-17-18(16-14-11-9-2)20-21(6,7)19(3,4)5/h15,17-18H,8-11,14,16H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane?
tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane is sourced from PubChem (CID 173440675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).