1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone

C19H30O3Si — CID 155978465

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone
SMILESCC(=O)C1(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C1
InChIInChI=1S/C19H30O3Si/c1-15(20)19(22-23(5,6)18(2,3)4)12-17(13-19)21-14-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3
InChIKeyMVMVJJLZIVHYTM-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.72
Rot. Bonds6

About 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone

1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone (PubChem CID 155978465) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone
PubChem CID155978465
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone
SMILESCC(=O)C1(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C1
InChIInChI=1S/C19H30O3Si/c1-15(20)19(22-23(5,6)18(2,3)4)12-17(13-19)21-14-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3
InChIKeyMVMVJJLZIVHYTM-UHFFFAOYSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 11789736
CID 11789736
CID 165666987
CID 165666987
CID 10786824
CID 10786824
CID 10872222
CID 10872222
CID 11067249
CID 11067249
CID 11471527
CID 11471527
CID 11717284
CID 11717284
CID 11760648
CID 11760648
CID 13496830
CID 13496830
CID 14121070
CID 14121070
CID 58595717
CID 58595717
CID 134866486
CID 134866486

Frequently Asked Questions

What is the IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone (CID 155978465) is 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone is CC(=O)C1(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
The InChIKey is MVMVJJLZIVHYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-15(20)19(22-23(5,6)18(2,3)4)12-17(13-19)21-14-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone has a molecular weight of 334.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone is sourced from PubChem (CID 155978465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).