trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde

C16H30O2Si — CID 10660587

IUPACtrans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
SMILESC=CCC[C@@]1(C=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-8-11-16(13-17)12-9-10-14(16)18-19(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t14-,16-/m0/s1
InChIKeyPDWGIHGADDVDHH-HOCLYGCPSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds6

About trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde

trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde (PubChem CID 10660587) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
PubChem CID10660587
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametrans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
SMILESC=CCC[C@@]1(C=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-8-11-16(13-17)12-9-10-14(16)18-19(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t14-,16-/m0/s1
InChIKeyPDWGIHGADDVDHH-HOCLYGCPSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
CID 11808159
trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 134892821
cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 10543166
trans-(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53381778
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
CID 101059159

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde (CID 10660587) is trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde is C=CCC[C@@]1(C=O)CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The InChIKey is PDWGIHGADDVDHH-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-8-11-16(13-17)12-9-10-14(16)18-19(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t14-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 10660587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).