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

About (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (PubChem CID 10765862) has the molecular formula C19H26F6O5 and a molecular weight of 448.40 g/mol. Its IUPAC name is (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
PubChem CID	10765862
Molecular Formula	C19H26F6O5
Molecular Weight	448.40 g/mol
Exact Mass	448.17
IUPAC Name	(1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
SMILES	C[C@@H]1[C@H](OCC(F)(F)C(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/C19H26F6O5/c1-9-4-5-12-10(2)13(26-8-17(21,22)14(20)19(23,24)25)27-15-18(12)11(9)6-7-16(3,28-15)29-30-18/h9-15H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14?,15-,16-,18-/m1/s1
InChIKey	DFBXOAXDWYYGMV-AEKFRTGWSA-N
XLogP	4.75
TPSA	46.15 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.40
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (CID 10765862) is (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-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-(2,2,3,4,4,4-hexafluorobutoxy)-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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is C[C@@H]1[C@H](OCC(F)(F)C(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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The InChIKey is DFBXOAXDWYYGMV-AEKFRTGWSA-N. The full InChI is InChI=1S/C19H26F6O5/c1-9-4-5-12-10(2)13(26-8-17(21,22)14(20)19(23,24)25)27-15-18(12)11(9)6-7-16(3,28-15)29-30-18/h9-15H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14?,15-,16-,18-/m1/s1.

What are the key properties of (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane has a molecular weight of 448.40 g/mol, XLogP of 4.75, 4 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-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is sourced from PubChem (CID 10765862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).