tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane

C15H28OSi — CID 101400087

IUPACtert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
SMILESCC1=CC=CC(C)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28OSi/c1-13-9-8-10-15(5,11-13)12-16-17(6,7)14(2,3)4/h8-10H,11-12H2,1-7H3
InChIKeyDQYBOSDFARZILG-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane

tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane (PubChem CID 101400087) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
PubChem CID101400087
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
SMILESCC1=CC=CC(C)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28OSi/c1-13-9-8-10-15(5,11-13)12-16-17(6,7)14(2,3)4/h8-10H,11-12H2,1-7H3
InChIKeyDQYBOSDFARZILG-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
tert-butyl-[[1-[(Z)-4-iodobut-3-enyl]cyclohexa-2,5-dien-1-yl]methoxy]-dimethylsilane
CID 10873143
[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
CID 10891131
Tert-butyl-[[1-(3-iodobut-3-enyl)cyclohexa-2,5-dien-1-yl]methoxy]-dimethylsilane
CID 11761261
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312
Tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400085
tert-butyl-[(3E)-3-ethylidenehex-5-enoxy]-dimethylsilane
CID 134991456
Silane, [(2-ethenyl-2,5-dimethyl-4-hexenyl)oxy]trimethyl-
CID 552672
tert-butyl-[(2S)-2-ethenyl-2,6-dimethylhept-5-enoxy]-dimethylsilane
CID 24823998
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane
CID 11987021
Lithium tert-butyl-dimethyl-(3-phenylpropoxy)silane
CID 20319787
(2-Trimethylsiloxy-ethyl)-cyclopentadiene
CID 23303830

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane (CID 101400087) is tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane is CC1=CC=CC(C)(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
The InChIKey is DQYBOSDFARZILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-13-9-8-10-15(5,11-13)12-16-17(6,7)14(2,3)4/h8-10H,11-12H2,1-7H3.
What are the key properties of tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 101400087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).