(5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione

C19H28O4 — CID 15350695

About (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione

(5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione (PubChem CID 15350695) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione.

Molecular Properties

• Compound Name: (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione
• PubChem CID: 15350695
• Molecular Formula: C19H28O4
• Molecular Weight: 320.43 g/mol
• Exact Mass: 320.20
• IUPAC Name: (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1CC(=O)CC[C@@]12C=CC(=O)O2
• InChI: InChI=1S/C19H28O4/c1-12(2)15-5-4-13(3)10-16(15)22-17-11-14(20)6-8-19(17)9-7-18(21)23-19/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15+,16-,17+,19-/m1/s1
• InChIKey: HNQKVYOJKBCUAH-LXJHJBAVSA-N
• XLogP: 3.44
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.43
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione?

The IUPAC name of (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione (CID 15350695) is (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione.

What is the SMILES notation for (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione?

The canonical SMILES for (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1CC(=O)CC[C@@]12C=CC(=O)O2.

What is the InChIKey of (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione?

The InChIKey is HNQKVYOJKBCUAH-LXJHJBAVSA-N. The full InChI is InChI=1S/C19H28O4/c1-12(2)15-5-4-13(3)10-16(15)22-17-11-14(20)6-8-19(17)9-7-18(21)23-19/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15+,16-,17+,19-/m1/s1.

What are the key properties of (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione?

(5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione has a molecular weight of 320.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione is sourced from PubChem (CID 15350695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).