2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde

C26H46O5Si — CID 18718288

IUPAC2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1CO[C@H](C=CC(OC2CCCCO2)C2CCCCC2)[C@H]1CC=O
InChIInChI=1S/C26H46O5Si/c1-4-32(5-2,6-3)31-25-20-29-24(22(25)17-18-27)16-15-23(21-12-8-7-9-13-21)30-26-14-10-11-19-28-26/h15-16,18,21-26H,4-14,17,19-20H2,1-3H3/t22-,23?,24-,25+,26?/m1/s1
InChIKeyOZONBMLYHGABTO-BJDPOGLMSA-N
MW466.74 g/mol
LogP6.03
Rot. Bonds12

About 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde

2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde (PubChem CID 18718288) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde
PubChem CID18718288
Molecular FormulaC26H46O5Si
Molecular Weight466.74 g/mol
Exact Mass466.31
IUPAC Name2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1CO[C@H](C=CC(OC2CCCCO2)C2CCCCC2)[C@H]1CC=O
InChIInChI=1S/C26H46O5Si/c1-4-32(5-2,6-3)31-25-20-29-24(22(25)17-18-27)16-15-23(21-12-8-7-9-13-21)30-26-14-10-11-19-28-26/h15-16,18,21-26H,4-14,17,19-20H2,1-3H3/t22-,23?,24-,25+,26?/m1/s1
InChIKeyOZONBMLYHGABTO-BJDPOGLMSA-N
XLogP6.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane
CID 18395992
[(3R,4R,5R)-5-[(E)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane
CID 67594900
2-[(2R,3R,4R)-2-[(E)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde
CID 88152325
3-[(2S,3S,4R,6R)-6-methoxy-2-[3-(oxan-2-yloxy)oct-1-enyl]-4-trimethylsilyloxyoxan-3-yl]propanal
CID 88804008
methyl 4-[(2R,3S)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]but-2-enoate
CID 90757975

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde (CID 18718288) is 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde is CC[Si](CC)(CC)O[C@H]1CO[C@H](C=CC(OC2CCCCO2)C2CCCCC2)[C@H]1CC=O.
What is the InChIKey of 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde?
The InChIKey is OZONBMLYHGABTO-BJDPOGLMSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-4-32(5-2,6-3)31-25-20-29-24(22(25)17-18-27)16-15-23(21-12-8-7-9-13-21)30-26-14-10-11-19-28-26/h15-16,18,21-26H,4-14,17,19-20H2,1-3H3/t22-,23?,24-,25+,26?/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde?
2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde has a molecular weight of 466.74 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-triethylsilyloxyoxolan-3-yl]acetaldehyde is sourced from PubChem (CID 18718288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).