(1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

C18H24F6O5 — CID 10622697

About (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

(1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (PubChem CID 10622697) has the molecular formula C18H24F6O5 and a molecular weight of 434.37 g/mol. Its IUPAC name is (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

Molecular Properties

• Compound Name: (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• PubChem CID: 10622697
• Molecular Formula: C18H24F6O5
• Molecular Weight: 434.37 g/mol
• Exact Mass: 434.15
• IUPAC Name: (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• SMILES: C[C@@H]1[C@H](OC(C(F)(F)F)C(F)(F)F)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
• InChI: InChI=1S/C18H24F6O5/c1-8-4-5-11-9(2)12(25-13(17(19,20)21)18(22,23)24)26-14-16(11)10(8)6-7-15(3,27-14)28-29-16/h8-14H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,14-,15-,16-/m1/s1
• InChIKey: IIVIMLMUCQPYLB-PCGCTMMYSA-N
• XLogP: 4.70
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The IUPAC name of (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (CID 10622697) is (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

What is the SMILES notation for (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The canonical SMILES for (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is C[C@@H]1[C@H](OC(C(F)(F)F)C(F)(F)F)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.

What is the InChIKey of (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The InChIKey is IIVIMLMUCQPYLB-PCGCTMMYSA-N. The full InChI is InChI=1S/C18H24F6O5/c1-8-4-5-11-9(2)12(25-13(17(19,20)21)18(22,23)24)26-14-16(11)10(8)6-7-15(3,27-14)28-29-16/h8-14H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,14-,15-,16-/m1/s1.

What are the key properties of (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

(1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane has a molecular weight of 434.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,5R,8S,9S,10R,12R,13R)-10-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is sourced from PubChem (CID 10622697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).