(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal

C18H34O6Si — CID 102397273

IUPAC(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal
SMILESCOCO[C@H](C=O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C18H34O6Si/c1-12-15(9-14(10-19)22-11-21-6)23-17(20)13(2)16(12)24-25(7,8)18(3,4)5/h10,12-16H,9,11H2,1-8H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyIXGUUDPAXHCIRT-QRJUGERDSA-N
MW374.55 g/mol
LogP3.15
Rot. Bonds8

About (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal

(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal (PubChem CID 102397273) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal.

Molecular Properties

Compound Name(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal
PubChem CID102397273
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal
SMILESCOCO[C@H](C=O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C18H34O6Si/c1-12-15(9-14(10-19)22-11-21-6)23-17(20)13(2)16(12)24-25(7,8)18(3,4)5/h10,12-16H,9,11H2,1-8H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyIXGUUDPAXHCIRT-QRJUGERDSA-N
XLogP3.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.15
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal?
The IUPAC name of (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal (CID 102397273) is (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal.
What is the SMILES notation for (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal?
The canonical SMILES for (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal is COCO[C@H](C=O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal?
The InChIKey is IXGUUDPAXHCIRT-QRJUGERDSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-12-15(9-14(10-19)22-11-21-6)23-17(20)13(2)16(12)24-25(7,8)18(3,4)5/h10,12-16H,9,11H2,1-8H3/t12-,13+,14-,15-,16-/m0/s1.
What are the key properties of (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal?
(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal has a molecular weight of 374.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal is sourced from PubChem (CID 102397273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).