(5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate

C27H36O4 — CID 58261176

About (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate (PubChem CID 58261176) has the molecular formula C27H36O4 and a molecular weight of 424.58 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate
• PubChem CID: 58261176
• Molecular Formula: C27H36O4
• Molecular Weight: 424.58 g/mol
• Exact Mass: 424.26
• IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate
• SMILES: CCC1(COc2ccc3cc(C(=O)OC4CC(C)CCC4C(C)C)ccc3c2)COC1
• InChI: InChI=1S/C27H36O4/c1-5-27(15-29-16-27)17-30-23-10-9-20-13-22(8-7-21(20)14-23)26(28)31-25-12-19(4)6-11-24(25)18(2)3/h7-10,13-14,18-19,24-25H,5-6,11-12,15-17H2,1-4H3
• InChIKey: PKCLEDATXKJXEN-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.58
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate (CID 58261176) is (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate.

What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate is CCC1(COc2ccc3cc(C(=O)OC4CC(C)CCC4C(C)C)ccc3c2)COC1.

What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

The InChIKey is PKCLEDATXKJXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O4/c1-5-27(15-29-16-27)17-30-23-10-9-20-13-22(8-7-21(20)14-23)26(28)31-25-12-19(4)6-11-24(25)18(2)3/h7-10,13-14,18-19,24-25H,5-6,11-12,15-17H2,1-4H3.

What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

(5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate has a molecular weight of 424.58 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-propan-2-ylcyclohexyl) 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 58261176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).