[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium

C17H29O2Si+ — CID 135030013

IUPAC[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
SMILESC[O+]=C1C=CC(=CCCCO[Si](C)(C)C(C)(C)C)C=C1
InChIInChI=1S/C17H29O2Si/c1-17(2,3)20(5,6)19-14-8-7-9-15-10-12-16(18-4)13-11-15/h9-13H,7-8,14H2,1-6H3/q+1
InChIKeyHXBODWKGNWRLIS-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.58
Rot. Bonds5

About [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium

[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium (PubChem CID 135030013) has the molecular formula C17H29O2Si+ and a molecular weight of 293.50 g/mol. Its IUPAC name is [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium.

Molecular Properties

Compound Name[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
PubChem CID135030013
Molecular FormulaC17H29O2Si+
Molecular Weight293.50 g/mol
Exact Mass293.19
IUPAC Name[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
SMILESC[O+]=C1C=CC(=CCCCO[Si](C)(C)C(C)(C)C)C=C1
InChIInChI=1S/C17H29O2Si/c1-17(2,3)20(5,6)19-14-8-7-9-15-10-12-16(18-4)13-11-15/h9-13H,7-8,14H2,1-6H3/q+1
InChIKeyHXBODWKGNWRLIS-UHFFFAOYSA-N
XLogP4.58
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium
CID 100946662
(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
CID 102109295
(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one
CID 162401339
4-(((Tert-butyldimethylsilyl)oxy)methyl)-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
CID 162786836
(4E,6E)-7-methyl-8-tri(propan-2-yl)silyloxyocta-4,6-dien-3-one
CID 176436002
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
CID 13067722
7-[Tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
CID 85996143
(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one
CID 88872174
6-[[Ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one
CID 139725151
(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one
CID 141365281
5-[Tert-butyl(dimethyl)silyl]oxycyclohexa-1,5-diene-1-carbaldehyde
CID 173672366
1-[Tert-butyl(dimethyl)silyl]oxydeca-5,7,9-trien-4-one
CID 176040790

Frequently Asked Questions

What is the IUPAC name of [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium?
The IUPAC name of [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium (CID 135030013) is [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium.
What is the SMILES notation for [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium?
The canonical SMILES for [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium is C[O+]=C1C=CC(=CCCCO[Si](C)(C)C(C)(C)C)C=C1.
What is the InChIKey of [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium?
The InChIKey is HXBODWKGNWRLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O2Si/c1-17(2,3)20(5,6)19-14-8-7-9-15-10-12-16(18-4)13-11-15/h9-13H,7-8,14H2,1-6H3/q+1.
What are the key properties of [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium?
[4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium has a molecular weight of 293.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium is sourced from PubChem (CID 135030013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).