tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane

C25H32O2Si — CID 164787157

IUPACtert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane
SMILESC#C[C@H](OC)[C@@H]1CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O2Si/c1-6-24(26-5)23-18-17-20(23)19-27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h1,7-16,20,23-24H,17-19H2,2-5H3/t20-,23+,24-/m0/s1
InChIKeyZRBBROIWMGDWIB-ZTCOLXNVSA-N
MW392.62 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane

tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane (PubChem CID 164787157) has the molecular formula C25H32O2Si and a molecular weight of 392.62 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane
PubChem CID164787157
Molecular FormulaC25H32O2Si
Molecular Weight392.62 g/mol
Exact Mass392.22
IUPAC Nametert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane
SMILESC#C[C@H](OC)[C@@H]1CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O2Si/c1-6-24(26-5)23-18-17-20(23)19-27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h1,7-16,20,23-24H,17-19H2,2-5H3/t20-,23+,24-/m0/s1
InChIKeyZRBBROIWMGDWIB-ZTCOLXNVSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-2-methoxyacetaldehyde
CID 164787145
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane (CID 164787157) is tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane is C#C[C@H](OC)[C@@H]1CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane?
The InChIKey is ZRBBROIWMGDWIB-ZTCOLXNVSA-N. The full InChI is InChI=1S/C25H32O2Si/c1-6-24(26-5)23-18-17-20(23)19-27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h1,7-16,20,23-24H,17-19H2,2-5H3/t20-,23+,24-/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane has a molecular weight of 392.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R)-2-[(1R)-1-methoxyprop-2-ynyl]cyclobutyl]methoxy]-diphenylsilane is sourced from PubChem (CID 164787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).