(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal

C20H42O4Si — CID 44520613

IUPAC(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal
SMILESCOCO[C@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C)C=O
InChIInChI=1S/C20H42O4Si/c1-15(2)25(16(3)4,17(5)6)24-13-19(8)11-20(23-14-22-9)10-18(7)12-21/h12,15-20H,10-11,13-14H2,1-9H3/t18-,19-,20+/m1/s1
InChIKeyGWRJFXWZUZTALN-AQNXPRMDSA-N
MW374.64 g/mol
LogP5.42
Rot. Bonds14

About (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal

(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal (PubChem CID 44520613) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal.

Molecular Properties

Compound Name(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal
PubChem CID44520613
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal
SMILESCOCO[C@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C)C=O
InChIInChI=1S/C20H42O4Si/c1-15(2)25(16(3)4,17(5)6)24-13-19(8)11-20(23-14-22-9)10-18(7)12-21/h12,15-20H,10-11,13-14H2,1-9H3/t18-,19-,20+/m1/s1
InChIKeyGWRJFXWZUZTALN-AQNXPRMDSA-N
XLogP5.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal?
The IUPAC name of (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal (CID 44520613) is (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal.
What is the SMILES notation for (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal?
The canonical SMILES for (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal is COCO[C@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C)C=O.
What is the InChIKey of (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal?
The InChIKey is GWRJFXWZUZTALN-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-15(2)25(16(3)4,17(5)6)24-13-19(8)11-20(23-14-22-9)10-18(7)12-21/h12,15-20H,10-11,13-14H2,1-9H3/t18-,19-,20+/m1/s1.
What are the key properties of (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal?
(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal has a molecular weight of 374.64 g/mol, XLogP of 5.42, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal is sourced from PubChem (CID 44520613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).