(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal

C17H34O6Si — CID 162517828

IUPAC(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal
SMILESC=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CC=O)OCOC
InChIInChI=1S/C17H34O6Si/c1-7-15(21-13-19-5)17(16(11-12-18)22-14-20-6)23-24(8-2,9-3)10-4/h7,12,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17+/m1/s1
InChIKeyBACAIAMXYHAMEU-ZACQAIPSSA-N
MW362.54 g/mol
LogP3.13
Rot. Bonds16

About (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal

(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal (PubChem CID 162517828) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal
PubChem CID162517828
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal
SMILESC=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CC=O)OCOC
InChIInChI=1S/C17H34O6Si/c1-7-15(21-13-19-5)17(16(11-12-18)22-14-20-6)23-24(8-2,9-3)10-4/h7,12,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17+/m1/s1
InChIKeyBACAIAMXYHAMEU-ZACQAIPSSA-N
XLogP3.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal?
The IUPAC name of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal (CID 162517828) is (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal.
What is the SMILES notation for (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal?
The canonical SMILES for (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal is C=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CC=O)OCOC.
What is the InChIKey of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal?
The InChIKey is BACAIAMXYHAMEU-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-7-15(21-13-19-5)17(16(11-12-18)22-14-20-6)23-24(8-2,9-3)10-4/h7,12,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17+/m1/s1.
What are the key properties of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal?
(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal has a molecular weight of 362.54 g/mol, XLogP of 3.13, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal is sourced from PubChem (CID 162517828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).