tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane

C25H42OSi — CID 23243429

IUPACtert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane
SMILESCC1=C(/C=C/C2(C)C=CCC=C2)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C25H42OSi/c1-20-13-14-21(19-26-27(8,9)23(2,3)4)24(5,6)22(20)15-18-25(7)16-11-10-12-17-25/h11-12,15-18,21H,10,13-14,19H2,1-9H3/b18-15+
InChIKeyPMIVBFLSRICLEP-OBGWFSINSA-N
MW386.70 g/mol
LogP7.84
Rot. Bonds5

About tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane (PubChem CID 23243429) has the molecular formula C25H42OSi and a molecular weight of 386.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane
PubChem CID23243429
Molecular FormulaC25H42OSi
Molecular Weight386.70 g/mol
Exact Mass386.30
IUPAC Nametert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane
SMILESCC1=C(/C=C/C2(C)C=CCC=C2)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C25H42OSi/c1-20-13-14-21(19-26-27(8,9)23(2,3)4)24(5,6)22(20)15-18-25(7)16-11-10-12-17-25/h11-12,15-18,21H,10,13-14,19H2,1-9H3/b18-15+
InChIKeyPMIVBFLSRICLEP-OBGWFSINSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.70
LogP ≤ 57.84
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'}

Analyze tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane with MolForge

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Related Compounds

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[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
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Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
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CID 134889310
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane (CID 23243429) is tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane is CC1=C(/C=C/C2(C)C=CCC=C2)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane?
The InChIKey is PMIVBFLSRICLEP-OBGWFSINSA-N. The full InChI is InChI=1S/C25H42OSi/c1-20-13-14-21(19-26-27(8,9)23(2,3)4)24(5,6)22(20)15-18-25(7)16-11-10-12-17-25/h11-12,15-18,21H,10,13-14,19H2,1-9H3/b18-15+.
What are the key properties of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane has a molecular weight of 386.70 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 23243429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).