cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one

C18H38O3Si2 — CID 138963618

IUPACcis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-13-14-15(19)11-12-16(14)21-23(9,10)18(4,5)6/h14,16H,11-13H2,1-10H3/t14-,16-/m0/s1
InChIKeyNTVCGQFNVYGLKM-HOCLYGCPSA-N
MW358.67 g/mol
LogP5.38
Rot. Bonds5

About cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one

cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one (PubChem CID 138963618) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
PubChem CID138963618
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Namecis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-13-14-15(19)11-12-16(14)21-23(9,10)18(4,5)6/h14,16H,11-13H2,1-10H3/t14-,16-/m0/s1
InChIKeyNTVCGQFNVYGLKM-HOCLYGCPSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.38
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

2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one
CID 156903644
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
CID 71516996
1-(2-Trimethylsilyloxycyclopentyl)ethanone
CID 73197453
cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3,3-dimethylbut-1-ynyl)cyclopentan-1-one
CID 134906204
(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one
CID 138963620
1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463
[Tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 14711753
trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 58220967
trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 58220999

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The IUPAC name of cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one (CID 138963618) is cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one.
What is the SMILES notation for cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The canonical SMILES for cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one is CC(C)(C)[Si](C)(C)OC[C@H]1C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The InChIKey is NTVCGQFNVYGLKM-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-13-14-15(19)11-12-16(14)21-23(9,10)18(4,5)6/h14,16H,11-13H2,1-10H3/t14-,16-/m0/s1.
What are the key properties of cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one has a molecular weight of 358.67 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one is sourced from PubChem (CID 138963618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).