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

C18H30O5 — CID 156554676

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

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (PubChem CID 156554676) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

Molecular Properties

• Compound Name: (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• PubChem CID: 156554676
• Molecular Formula: C18H30O5
• Molecular Weight: 326.43 g/mol
• Exact Mass: 326.21
• IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• SMILES: CC(C)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
• InChI: InChI=1S/C18H30O5/c1-10(2)19-15-12(4)14-7-6-11(3)13-8-9-17(5)21-16(20-15)18(13,14)23-22-17/h10-16H,6-9H2,1-5H3/t11-,12-,13+,14+,15+,16-,17-,18-/m1/s1
• InChIKey: UOIMPYXJKYUEBP-QOBNMGNYSA-N
• XLogP: 3.62
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.43
LogP ≤ 5	3.62
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,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The IUPAC name of (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (CID 156554676) is (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

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

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

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

The InChIKey is UOIMPYXJKYUEBP-QOBNMGNYSA-N. The full InChI is InChI=1S/C18H30O5/c1-10(2)19-15-12(4)14-7-6-11(3)13-8-9-17(5)21-16(20-15)18(13,14)23-22-17/h10-16H,6-9H2,1-5H3/t11-,12-,13+,14+,15+,16-,17-,18-/m1/s1.

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

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane has a molecular weight of 326.43 g/mol, XLogP of 3.62, 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,9R,10S,12R,13R)-1,5,9-trimethyl-10-propan-2-yloxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is sourced from PubChem (CID 156554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).