[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate

C16H20O4 — CID 102118384

IUPAC[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@@H](OC(C)=O)c2ccccc21
InChIInChI=1S/C16H20O4/c1-11(17)19-15-9-5-6-10-16(20-12(2)18)14-8-4-3-7-13(14)15/h3-4,7-8,15-16H,5-6,9-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyXVOBGNWAHWGARR-HZPDHXFCSA-N
MW276.33 g/mol
LogP3.47
Rot. Bonds2

About [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate

[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate (PubChem CID 102118384) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate.

Molecular Properties

Compound Name[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
PubChem CID102118384
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@@H](OC(C)=O)c2ccccc21
InChIInChI=1S/C16H20O4/c1-11(17)19-15-9-5-6-10-16(20-12(2)18)14-8-4-3-7-13(14)15/h3-4,7-8,15-16H,5-6,9-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyXVOBGNWAHWGARR-HZPDHXFCSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate?
The IUPAC name of [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate (CID 102118384) is [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate.
What is the SMILES notation for [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate?
The canonical SMILES for [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate is CC(=O)O[C@@H]1CCCC[C@@H](OC(C)=O)c2ccccc21.
What is the InChIKey of [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate?
The InChIKey is XVOBGNWAHWGARR-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20O4/c1-11(17)19-15-9-5-6-10-16(20-12(2)18)14-8-4-3-7-13(14)15/h3-4,7-8,15-16H,5-6,9-10H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate?
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate has a molecular weight of 276.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate is sourced from PubChem (CID 102118384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).