(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal

C24H44O5Si — CID 11775045

IUPAC(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal
SMILESC/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O[Si](CC)(CC)CC)[C@H]1COC(C)(C)O[C@@H]1C(C)C=O
InChIInChI=1S/C24H44O5Si/c1-10-14-17(5)21-24(9,28-21)22(29-30(11-2,12-3)13-4)19-16-26-23(7,8)27-20(19)18(6)15-25/h10,14-15,17-22H,11-13,16H2,1-9H3/b14-10-/t17-,18?,19-,20+,21+,22-,24-/m0/s1
InChIKeyPPHKFYCOIOEELB-YZXXHQPNSA-N
MW440.70 g/mol
LogP5.35
Rot. Bonds11

About (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal

(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal (PubChem CID 11775045) has the molecular formula C24H44O5Si and a molecular weight of 440.70 g/mol. Its IUPAC name is (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal.

Molecular Properties

Compound Name(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal
PubChem CID11775045
Molecular FormulaC24H44O5Si
Molecular Weight440.70 g/mol
Exact Mass440.30
IUPAC Name(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal
SMILESC/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O[Si](CC)(CC)CC)[C@H]1COC(C)(C)O[C@@H]1C(C)C=O
InChIInChI=1S/C24H44O5Si/c1-10-14-17(5)21-24(9,28-21)22(29-30(11-2,12-3)13-4)19-16-26-23(7,8)27-20(19)18(6)15-25/h10,14-15,17-22H,11-13,16H2,1-9H3/b14-10-/t17-,18?,19-,20+,21+,22-,24-/m0/s1
InChIKeyPPHKFYCOIOEELB-YZXXHQPNSA-N
XLogP5.35
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 55.35
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal?
The IUPAC name of (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal (CID 11775045) is (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal.
What is the SMILES notation for (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal?
The canonical SMILES for (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal is C/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O[Si](CC)(CC)CC)[C@H]1COC(C)(C)O[C@@H]1C(C)C=O.
What is the InChIKey of (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal?
The InChIKey is PPHKFYCOIOEELB-YZXXHQPNSA-N. The full InChI is InChI=1S/C24H44O5Si/c1-10-14-17(5)21-24(9,28-21)22(29-30(11-2,12-3)13-4)19-16-26-23(7,8)27-20(19)18(6)15-25/h10,14-15,17-22H,11-13,16H2,1-9H3/b14-10-/t17-,18?,19-,20+,21+,22-,24-/m0/s1.
What are the key properties of (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal?
(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal has a molecular weight of 440.70 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S,5S)-2,2-dimethyl-5-[(S)-[(2S,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-triethylsilyloxymethyl]-1,3-dioxan-4-yl]propanal is sourced from PubChem (CID 11775045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).