(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde

C26H32O3Si — CID 25104770

IUPAC(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde
SMILESC/C=C/C=C/[C@H]1CO[C@@H](C=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H32O3Si/c1-5-6-9-14-21-20-28-24(19-27)25(21)29-30(26(2,3)4,22-15-10-7-11-16-22)23-17-12-8-13-18-23/h5-19,21,24-25H,20H2,1-4H3/b6-5+,14-9+/t21-,24-,25+/m0/s1
InChIKeyJZQSJUNPKLIANS-XHWZSDQMSA-N
MW420.63 g/mol
LogP4.28
Rot. Bonds7

About (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde

(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde (PubChem CID 25104770) has the molecular formula C26H32O3Si and a molecular weight of 420.63 g/mol. Its IUPAC name is (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde
PubChem CID25104770
Molecular FormulaC26H32O3Si
Molecular Weight420.63 g/mol
Exact Mass420.21
IUPAC Name(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde
SMILESC/C=C/C=C/[C@H]1CO[C@@H](C=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H32O3Si/c1-5-6-9-14-21-20-28-24(19-27)25(21)29-30(26(2,3)4,22-15-10-7-11-16-22)23-17-12-8-13-18-23/h5-19,21,24-25H,20H2,1-4H3/b6-5+,14-9+/t21-,24-,25+/m0/s1
InChIKeyJZQSJUNPKLIANS-XHWZSDQMSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 54.28
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3aR,5S,6R,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11224080
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
CID 10930945
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(3aS,4R,6S,6aS)-4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 102191385
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585
[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate
CID 10628040
tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
CID 159902587
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde (CID 25104770) is (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde is C/C=C/C=C/[C@H]1CO[C@@H](C=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde?
The InChIKey is JZQSJUNPKLIANS-XHWZSDQMSA-N. The full InChI is InChI=1S/C26H32O3Si/c1-5-6-9-14-21-20-28-24(19-27)25(21)29-30(26(2,3)4,22-15-10-7-11-16-22)23-17-12-8-13-18-23/h5-19,21,24-25H,20H2,1-4H3/b6-5+,14-9+/t21-,24-,25+/m0/s1.
What are the key properties of (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde?
(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde has a molecular weight of 420.63 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 25104770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).