tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane

C23H29NOSi — CID 159922386

IUPACtert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
SMILES[C-]#[N+]C1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H29NOSi/c1-23(2,3)26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)25-18-19-15-16-20(17-19)24-4/h5-14,19-20H,15-18H2,1-3H3/t19-,20?/m0/s1
InChIKeyNYOMFLMRWTYVCR-XJDOXCRVSA-N
MW363.58 g/mol
LogP4.65
Rot. Bonds5

About tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane

tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane (PubChem CID 159922386) has the molecular formula C23H29NOSi and a molecular weight of 363.58 g/mol. Its IUPAC name is tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
PubChem CID159922386
Molecular FormulaC23H29NOSi
Molecular Weight363.58 g/mol
Exact Mass363.20
IUPAC Nametert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
SMILES[C-]#[N+]C1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H29NOSi/c1-23(2,3)26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)25-18-19-15-16-20(17-19)24-4/h5-14,19-20H,15-18H2,1-3H3/t19-,20?/m0/s1
InChIKeyNYOMFLMRWTYVCR-XJDOXCRVSA-N
XLogP4.65
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-isocyanobicyclo[2.2.1]heptan-2-one
CID 164667100

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane (CID 159922386) is tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane is [C-]#[N+]C1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane?
The InChIKey is NYOMFLMRWTYVCR-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H29NOSi/c1-23(2,3)26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)25-18-19-15-16-20(17-19)24-4/h5-14,19-20H,15-18H2,1-3H3/t19-,20?/m0/s1.
What are the key properties of tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane?
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane has a molecular weight of 363.58 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane is sourced from PubChem (CID 159922386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).