tert-butyl-dimethyl-oct-7-en-2-ynoxysilane

C14H26OSi — CID 86018787

IUPACtert-butyl-dimethyl-oct-7-en-2-ynoxysilane
SMILESC=CCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7H,1,8-10,13H2,2-6H3
InChIKeyQEVLBVZAIZXWHJ-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-dimethyl-oct-7-en-2-ynoxysilane

tert-butyl-dimethyl-oct-7-en-2-ynoxysilane (PubChem CID 86018787) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-oct-7-en-2-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-oct-7-en-2-ynoxysilane
PubChem CID86018787
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-oct-7-en-2-ynoxysilane
SMILESC=CCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7H,1,8-10,13H2,2-6H3
InChIKeyQEVLBVZAIZXWHJ-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.37
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': 'isolated_alkene', '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-oct-7-en-2-ynoxysilane?
The IUPAC name of tert-butyl-dimethyl-oct-7-en-2-ynoxysilane (CID 86018787) is tert-butyl-dimethyl-oct-7-en-2-ynoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-oct-7-en-2-ynoxysilane?
The canonical SMILES for tert-butyl-dimethyl-oct-7-en-2-ynoxysilane is C=CCCCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-oct-7-en-2-ynoxysilane?
The InChIKey is QEVLBVZAIZXWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7H,1,8-10,13H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-oct-7-en-2-ynoxysilane?
tert-butyl-dimethyl-oct-7-en-2-ynoxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-oct-7-en-2-ynoxysilane is sourced from PubChem (CID 86018787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).