2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde

C14H26O3Si — CID 138756345

IUPAC2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](O)C=C[C@@H]1CC=O
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-10-12-11(8-9-15)6-7-13(12)16/h6-7,9,11-13,16H,8,10H2,1-5H3/t11-,12+,13-/m1/s1
InChIKeyIFKCLPGDHNPKNX-FRRDWIJNSA-N
MW270.44 g/mol
LogP2.76
Rot. Bonds5

About 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde

2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde (PubChem CID 138756345) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde
PubChem CID138756345
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](O)C=C[C@@H]1CC=O
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-10-12-11(8-9-15)6-7-13(12)16/h6-7,9,11-13,16H,8,10H2,1-5H3/t11-,12+,13-/m1/s1
InChIKeyIFKCLPGDHNPKNX-FRRDWIJNSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde (CID 138756345) is 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](O)C=C[C@@H]1CC=O.
What is the InChIKey of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde?
The InChIKey is IFKCLPGDHNPKNX-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-10-12-11(8-9-15)6-7-13(12)16/h6-7,9,11-13,16H,8,10H2,1-5H3/t11-,12+,13-/m1/s1.
What are the key properties of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde?
2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde has a molecular weight of 270.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 138756345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).