[4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate

C19H23NO5 — CID 130331600

IUPAC[4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1CC(OC(C)=O)CC(n2ccc3c(C)cccc32)O1
InChIInChI=1S/C19H23NO5/c1-12-5-4-6-18-17(12)7-8-20(18)19-10-15(24-14(3)22)9-16(25-19)11-23-13(2)21/h4-8,15-16,19H,9-11H2,1-3H3
InChIKeyWMZSPNKLUWWZCA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.12
Rot. Bonds4

About [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate

[4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate (PubChem CID 130331600) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate
PubChem CID130331600
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1CC(OC(C)=O)CC(n2ccc3c(C)cccc32)O1
InChIInChI=1S/C19H23NO5/c1-12-5-4-6-18-17(12)7-8-20(18)19-10-15(24-14(3)22)9-16(25-19)11-23-13(2)21/h4-8,15-16,19H,9-11H2,1-3H3
InChIKeyWMZSPNKLUWWZCA-UHFFFAOYSA-N
XLogP3.12
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate?
The IUPAC name of [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate (CID 130331600) is [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate.
What is the SMILES notation for [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate?
The canonical SMILES for [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate is CC(=O)OCC1CC(OC(C)=O)CC(n2ccc3c(C)cccc32)O1.
What is the InChIKey of [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate?
The InChIKey is WMZSPNKLUWWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12-5-4-6-18-17(12)7-8-20(18)19-10-15(24-14(3)22)9-16(25-19)11-23-13(2)21/h4-8,15-16,19H,9-11H2,1-3H3.
What are the key properties of [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate?
[4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate has a molecular weight of 345.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-6-(4-methylindol-1-yl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 130331600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).