tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane

C18H28OSi — CID 91871130

IUPACtert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2C=CCCC2)cc1
InChIInChI=1S/C18H28OSi/c1-18(2,3)20(4,5)19-17-13-11-16(12-14-17)15-9-7-6-8-10-15/h7,9,11-15H,6,8,10H2,1-5H3/t15-/m1/s1
InChIKeyOYGVWKKGKWIJQX-OAHLLOKOSA-N
MW288.51 g/mol
LogP5.89
Rot. Bonds3

About tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane (PubChem CID 91871130) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane
PubChem CID91871130
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Nametert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2C=CCCC2)cc1
InChIInChI=1S/C18H28OSi/c1-18(2,3)20(4,5)19-17-13-11-16(12-14-17)15-9-7-6-8-10-15/h7,9,11-15H,6,8,10H2,1-5H3/t15-/m1/s1
InChIKeyOYGVWKKGKWIJQX-OAHLLOKOSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.89
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-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane (CID 91871130) is tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2C=CCCC2)cc1.
What is the InChIKey of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane?
The InChIKey is OYGVWKKGKWIJQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28OSi/c1-18(2,3)20(4,5)19-17-13-11-16(12-14-17)15-9-7-6-8-10-15/h7,9,11-15H,6,8,10H2,1-5H3/t15-/m1/s1.
What are the key properties of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 91871130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).