tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane

C18H34OSi — CID 122224590

IUPACtert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
SMILESC[C@H](C/C=C/[C@H]1C=CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-16(19-20(5,6)18(2,3)4)12-11-15-17-13-9-7-8-10-14-17/h9,11,13,15-17H,7-8,10,12,14H2,1-6H3/b15-11+/t16-,17+/m1/s1
InChIKeyQADWKDVACSJPMY-ZBBFWBNCSA-N
MW294.56 g/mol
LogP6.09
Rot. Bonds5

About tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 122224590) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID122224590
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
SMILESC[C@H](C/C=C/[C@H]1C=CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-16(19-20(5,6)18(2,3)4)12-11-15-17-13-9-7-8-10-14-17/h9,11,13,15-17H,7-8,10,12,14H2,1-6H3/b15-11+/t16-,17+/m1/s1
InChIKeyQADWKDVACSJPMY-ZBBFWBNCSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.09
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-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane (CID 122224590) is tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane is C[C@H](C/C=C/[C@H]1C=CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is QADWKDVACSJPMY-ZBBFWBNCSA-N. The full InChI is InChI=1S/C18H34OSi/c1-16(19-20(5,6)18(2,3)4)12-11-15-17-13-9-7-8-10-14-17/h9,11,13,15-17H,7-8,10,12,14H2,1-6H3/b15-11+/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 122224590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).