(2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal

C25H54O5Si2 — CID 11533270

IUPAC(2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal
SMILESCOCOC[C@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H54O5Si2/c1-18(2)31(19(3)4,20(5)6)29-24(15-26)25(13,16-28-17-27-14)30-32(21(7)8,22(9)10)23(11)12/h15,18-24H,16-17H2,1-14H3/t24-,25-/m0/s1
InChIKeyXMTCNAGAEKVVLJ-DQEYMECFSA-N
MW490.87 g/mol
LogP7.32
Rot. Bonds16

About (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal

(2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal (PubChem CID 11533270) has the molecular formula C25H54O5Si2 and a molecular weight of 490.87 g/mol. Its IUPAC name is (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal.

Molecular Properties

Compound Name(2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal
PubChem CID11533270
Molecular FormulaC25H54O5Si2
Molecular Weight490.87 g/mol
Exact Mass490.35
IUPAC Name(2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal
SMILESCOCOC[C@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H54O5Si2/c1-18(2)31(19(3)4,20(5)6)29-24(15-26)25(13,16-28-17-27-14)30-32(21(7)8,22(9)10)23(11)12/h15,18-24H,16-17H2,1-14H3/t24-,25-/m0/s1
InChIKeyXMTCNAGAEKVVLJ-DQEYMECFSA-N
XLogP7.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.87
LogP ≤ 57.32
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal?
The IUPAC name of (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal (CID 11533270) is (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal.
What is the SMILES notation for (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal?
The canonical SMILES for (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal is COCOC[C@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal?
The InChIKey is XMTCNAGAEKVVLJ-DQEYMECFSA-N. The full InChI is InChI=1S/C25H54O5Si2/c1-18(2)31(19(3)4,20(5)6)29-24(15-26)25(13,16-28-17-27-14)30-32(21(7)8,22(9)10)23(11)12/h15,18-24H,16-17H2,1-14H3/t24-,25-/m0/s1.
What are the key properties of (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal?
(2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal has a molecular weight of 490.87 g/mol, XLogP of 7.32, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(methoxymethoxy)-3-methyl-2,3-bis[tri(propan-2-yl)silyloxy]butanal is sourced from PubChem (CID 11533270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).