(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde

C24H48O3Si2 — CID 11224467

IUPAC(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde
SMILESCCCCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si2/c1-14-15-16-19-18(2)20(26-28(10,11)22(3,4)5)24(9,17-25)21(19)27-29(12,13)23(6,7)8/h17,20-21H,14-16H2,1-13H3/t20-,21+,24+/m0/s1
InChIKeyOJPWIUZGAXISAI-YZUZCNPQSA-N
MW440.82 g/mol
LogP7.49
Rot. Bonds8

About (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde

(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde (PubChem CID 11224467) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde
PubChem CID11224467
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Name(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde
SMILESCCCCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si2/c1-14-15-16-19-18(2)20(26-28(10,11)22(3,4)5)24(9,17-25)21(19)27-29(12,13)23(6,7)8/h17,20-21H,14-16H2,1-13H3/t20-,21+,24+/m0/s1
InChIKeyOJPWIUZGAXISAI-YZUZCNPQSA-N
XLogP7.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 57.49
H-Bond Donors ≤ 50
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'}

Analyze (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 171450110
2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]acetaldehyde
CID 10590064
2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]acetaldehyde
CID 10851487
methyl (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carboxylate
CID 10917685
2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde
CID 57327547
2,6,6-Trimethyl-3-tributylsilyloxycyclohexene-1-carbaldehyde
CID 101994727
(1S)-1-methyl-3-propan-2-yl-2-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-ene-1-carbaldehyde
CID 122371925

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde?
The IUPAC name of (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde (CID 11224467) is (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde?
The canonical SMILES for (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde is CCCCC1=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde?
The InChIKey is OJPWIUZGAXISAI-YZUZCNPQSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-14-15-16-19-18(2)20(26-28(10,11)22(3,4)5)24(9,17-25)21(19)27-29(12,13)23(6,7)8/h17,20-21H,14-16H2,1-13H3/t20-,21+,24+/m0/s1.
What are the key properties of (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde?
(1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde has a molecular weight of 440.82 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-3-butyl-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dimethylcyclopent-3-ene-1-carbaldehyde is sourced from PubChem (CID 11224467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).