tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane

C26H36OSi — CID 52912480

IUPACtert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane
SMILESCC(C)=C1CC[C@@H](C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36OSi/c1-20(2)24-18-17-21(3)25(24)19-27-28(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,25H,17-19H2,1-6H3/t21-,25+/m1/s1
InChIKeyBGAMOFHNHVNQPT-BWKNWUBXSA-N
MW392.66 g/mol
LogP5.95
Rot. Bonds5

About tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane

tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane (PubChem CID 52912480) has the molecular formula C26H36OSi and a molecular weight of 392.66 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane
PubChem CID52912480
Molecular FormulaC26H36OSi
Molecular Weight392.66 g/mol
Exact Mass392.25
IUPAC Nametert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane
SMILESCC(C)=C1CC[C@@H](C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36OSi/c1-20(2)24-18-17-21(3)25(24)19-27-28(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,25H,17-19H2,1-6H3/t21-,25+/m1/s1
InChIKeyBGAMOFHNHVNQPT-BWKNWUBXSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 55.95
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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Related Compounds

tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
1-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxythiolan-1-ium-1-yl]ethanone
CID 172826315
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine
CID 175638250
3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
CID 122207177
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane (CID 52912480) is tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane is CC(C)=C1CC[C@@H](C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane?
The InChIKey is BGAMOFHNHVNQPT-BWKNWUBXSA-N. The full InChI is InChI=1S/C26H36OSi/c1-20(2)24-18-17-21(3)25(24)19-27-28(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,25H,17-19H2,1-6H3/t21-,25+/m1/s1.
What are the key properties of tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane?
tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane has a molecular weight of 392.66 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane is sourced from PubChem (CID 52912480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).