(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal

C15H32O5Si — CID 11551510

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal
SMILESCOCCOCO[C@@H](CC=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O5Si/c1-13(20-21(6,7)15(2,3)4)14(8-9-16)19-12-18-11-10-17-5/h9,13-14H,8,10-12H2,1-7H3/t13-,14-/m0/s1
InChIKeyZNBHAQWPSHAVQY-KBPBESRZSA-N
MW320.50 g/mol
LogP2.99
Rot. Bonds11

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal (PubChem CID 11551510) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal
PubChem CID11551510
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal
SMILESCOCCOCO[C@@H](CC=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O5Si/c1-13(20-21(6,7)15(2,3)4)14(8-9-16)19-12-18-11-10-17-5/h9,13-14H,8,10-12H2,1-7H3/t13-,14-/m0/s1
InChIKeyZNBHAQWPSHAVQY-KBPBESRZSA-N
XLogP2.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11162038
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal
CID 25105485
(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
CID 46944342
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanal
CID 134892479
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 102147340
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate
CID 10523606
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal
CID 10641490
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal
CID 10870507
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
CID 11067244
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal
CID 13893447

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal (CID 11551510) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal is COCCOCO[C@@H](CC=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal?
The InChIKey is ZNBHAQWPSHAVQY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-13(20-21(6,7)15(2,3)4)14(8-9-16)19-12-18-11-10-17-5/h9,13-14H,8,10-12H2,1-7H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal has a molecular weight of 320.50 g/mol, XLogP of 2.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal is sourced from PubChem (CID 11551510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).