trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde

C14H28O2Si — CID 134886832

IUPACtrans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)[Si](OC[C@H]1C[C@@H]1C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-10(2)17(11(3)4,12(5)6)16-9-14-7-13(14)8-15/h8,10-14H,7,9H2,1-6H3/t13-,14-/m1/s1
InChIKeyRNRRQCIPDYMUQX-ZIAGYGMSSA-N
MW256.46 g/mol
LogP4.01
Rot. Bonds7

About trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde

trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde (PubChem CID 134886832) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde
PubChem CID134886832
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametrans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)[Si](OC[C@H]1C[C@@H]1C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-10(2)17(11(3)4,12(5)6)16-9-14-7-13(14)8-15/h8,10-14H,7,9H2,1-6H3/t13-,14-/m1/s1
InChIKeyRNRRQCIPDYMUQX-ZIAGYGMSSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-((tert-Butyldimethylsilyl)oxy)pentanal
CID 10987703
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 13596694
(R)-4-(tert-Butyldimethylsilyloxy)-2-methylbutanal
CID 23727930
5-((Triisopropylsilyl)oxy)pentanal
CID 10901318
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11436161
(S)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbutanal
CID 14930679
trans-(1R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
CID 166561246
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
CID 172695254
(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
CID 175542910
cis-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropane-1-carbaldehyde
CID 176018932
Ctk3G4223
CID 9543585
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 10037486

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde (CID 134886832) is trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde is CC(C)[Si](OC[C@H]1C[C@@H]1C=O)(C(C)C)C(C)C.
What is the InChIKey of trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde?
The InChIKey is RNRRQCIPDYMUQX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-10(2)17(11(3)4,12(5)6)16-9-14-7-13(14)8-15/h8,10-14H,7,9H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde?
trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde has a molecular weight of 256.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 134886832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).