tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane

C26H28OSi — CID 101450805

IUPACtert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccccc1C=C1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28OSi/c1-26(2,3)28(23-13-6-4-7-14-23,24-15-8-5-9-16-24)27-25-17-11-10-12-22(25)20-21-18-19-21/h4-17,20H,18-19H2,1-3H3
InChIKeyXTNHSDNNJFSSAV-UHFFFAOYSA-N
MW384.60 g/mol
LogP5.80
Rot. Bonds5

About tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane

tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane (PubChem CID 101450805) has the molecular formula C26H28OSi and a molecular weight of 384.60 g/mol. Its IUPAC name is tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
PubChem CID101450805
Molecular FormulaC26H28OSi
Molecular Weight384.60 g/mol
Exact Mass384.19
IUPAC Nametert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccccc1C=C1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28OSi/c1-26(2,3)28(23-13-6-4-7-14-23,24-15-8-5-9-16-24)27-25-17-11-10-12-22(25)20-21-18-19-21/h4-17,20H,18-19H2,1-3H3
InChIKeyXTNHSDNNJFSSAV-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66696715
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one
CID 140959904
(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde
CID 11430731
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane
CID 174605856
tert-butyl-(3,6-dihydro-2H-pyran-4-yloxy)-diphenylsilane
CID 101467335
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane (CID 101450805) is tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane is CC(C)(C)[Si](Oc1ccccc1C=C1CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane?
The InChIKey is XTNHSDNNJFSSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28OSi/c1-26(2,3)28(23-13-6-4-7-14-23,24-15-8-5-9-16-24)27-25-17-11-10-12-22(25)20-21-18-19-21/h4-17,20H,18-19H2,1-3H3.
What are the key properties of tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane?
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane has a molecular weight of 384.60 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane is sourced from PubChem (CID 101450805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).