tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane

C12H21ClOSi — CID 11021150

IUPACtert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#C/C=C\Cl
InChIInChI=1S/C12H21ClOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h8,10H,9,11H2,1-5H3/b10-8-
InChIKeyBVEGZCQDPLKTGW-NTMALXAHSA-N
MW244.84 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane

tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane (PubChem CID 11021150) has the molecular formula C12H21ClOSi and a molecular weight of 244.84 g/mol. Its IUPAC name is tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
PubChem CID11021150
Molecular FormulaC12H21ClOSi
Molecular Weight244.84 g/mol
Exact Mass244.11
IUPAC Nametert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#C/C=C\Cl
InChIInChI=1S/C12H21ClOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h8,10H,9,11H2,1-5H3/b10-8-
InChIKeyBVEGZCQDPLKTGW-NTMALXAHSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.84
LogP ≤ 54.15
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane (CID 11021150) is tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC#C/C=C\Cl.
What is the InChIKey of tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane?
The InChIKey is BVEGZCQDPLKTGW-NTMALXAHSA-N. The full InChI is InChI=1S/C12H21ClOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h8,10H,9,11H2,1-5H3/b10-8-.
What are the key properties of tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane?
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane has a molecular weight of 244.84 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 11021150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).