tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane

C18H36OSi — CID 22177366

IUPACtert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC/C=C\CCCCC1
InChIInChI=1S/C18H36OSi/c1-18(2,3)20(4,5)19-17-15-13-11-9-7-6-8-10-12-14-16-17/h6-7,17H,8-16H2,1-5H3/b7-6-
InChIKeyRVUMFLTYGVZCOX-SREVYHEPSA-N
MW296.57 g/mol
LogP6.46
Rot. Bonds2

About tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane

tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane (PubChem CID 22177366) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane
PubChem CID22177366
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC/C=C\CCCCC1
InChIInChI=1S/C18H36OSi/c1-18(2,3)20(4,5)19-17-15-13-11-9-7-6-8-10-12-14-16-17/h6-7,17H,8-16H2,1-5H3/b7-6-
InChIKeyRVUMFLTYGVZCOX-SREVYHEPSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane (CID 22177366) is tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCC/C=C\CCCCC1.
What is the InChIKey of tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane?
The InChIKey is RVUMFLTYGVZCOX-SREVYHEPSA-N. The full InChI is InChI=1S/C18H36OSi/c1-18(2,3)20(4,5)19-17-15-13-11-9-7-6-8-10-12-14-16-17/h6-7,17H,8-16H2,1-5H3/b7-6-.
What are the key properties of tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 22177366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).