(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde

C20H38O4Si — CID 14332135

IUPAC(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde
SMILESCC[Si](CC)(CC)OCCCCCCC[C@@H]1C(C=O)=C(C)O[C@H]1OC
InChIInChI=1S/C20H38O4Si/c1-6-25(7-2,8-3)23-15-13-11-9-10-12-14-18-19(16-21)17(4)24-20(18)22-5/h16,18,20H,6-15H2,1-5H3/t18-,20-/m1/s1
InChIKeyAVMJBZNEIVDXTC-UYAOXDASSA-N
MW370.61 g/mol
LogP5.44
Rot. Bonds14

About (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde

(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde (PubChem CID 14332135) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde
PubChem CID14332135
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde
SMILESCC[Si](CC)(CC)OCCCCCCC[C@@H]1C(C=O)=C(C)O[C@H]1OC
InChIInChI=1S/C20H38O4Si/c1-6-25(7-2,8-3)23-15-13-11-9-10-12-14-18-19(16-21)17(4)24-20(18)22-5/h16,18,20H,6-15H2,1-5H3/t18-,20-/m1/s1
InChIKeyAVMJBZNEIVDXTC-UYAOXDASSA-N
XLogP5.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(diethoxymethyl)-2-ethylcyclohexene-1-carbaldehyde
CID 10044695
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(diethoxymethyl)-2-pentylcyclohexene-1-carbaldehyde
CID 10070298
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(diethoxymethyl)-2-octylcyclohexene-1-carbaldehyde
CID 10253469
(5S,6S)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(diethoxymethyl)cyclohexene-1-carbaldehyde
CID 10386182
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(diethoxymethyl)-2-heptylcyclohexene-1-carbaldehyde
CID 10388549
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(diethoxymethyl)-2-methylcyclohexene-1-carbaldehyde
CID 10428368
ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate
CID 14332131
(E)-1-[(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-yl]oct-1-en-3-one
CID 14376746

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde?
The IUPAC name of (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde (CID 14332135) is (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde.
What is the SMILES notation for (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde?
The canonical SMILES for (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde is CC[Si](CC)(CC)OCCCCCCC[C@@H]1C(C=O)=C(C)O[C@H]1OC.
What is the InChIKey of (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde?
The InChIKey is AVMJBZNEIVDXTC-UYAOXDASSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-6-25(7-2,8-3)23-15-13-11-9-10-12-14-18-19(16-21)17(4)24-20(18)22-5/h16,18,20H,6-15H2,1-5H3/t18-,20-/m1/s1.
What are the key properties of (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde?
(2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde has a molecular weight of 370.61 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carbaldehyde is sourced from PubChem (CID 14332135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).