(1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane

C16H28O4 — CID 130279184

IUPAC(1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane
SMILESCC1OCO[C@]2(C)CC[C@@H]3[C@@H](OO2)[C@@H](CC[C@H]3C)[C@H]1C
InChIInChI=1S/C16H28O4/c1-10-5-6-14-11(2)12(3)17-9-18-16(4)8-7-13(10)15(14)19-20-16/h10-15H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15-,16+/m1/s1
InChIKeyZKFNFGRHLMQIEN-QXNOGGNTSA-N
MW284.40 g/mol
LogP3.50
Rot. Bonds

About (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane

(1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane (PubChem CID 130279184) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane.

Molecular Properties

Compound Name(1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane
PubChem CID130279184
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane
SMILESCC1OCO[C@]2(C)CC[C@@H]3[C@@H](OO2)[C@@H](CC[C@H]3C)[C@H]1C
InChIInChI=1S/C16H28O4/c1-10-5-6-14-11(2)12(3)17-9-18-16(4)8-7-13(10)15(14)19-20-16/h10-15H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15-,16+/m1/s1
InChIKeyZKFNFGRHLMQIEN-QXNOGGNTSA-N
XLogP3.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane?
The IUPAC name of (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane (CID 130279184) is (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane.
What is the SMILES notation for (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane?
The canonical SMILES for (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane is CC1OCO[C@]2(C)CC[C@@H]3[C@@H](OO2)[C@@H](CC[C@H]3C)[C@H]1C.
What is the InChIKey of (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane?
The InChIKey is ZKFNFGRHLMQIEN-QXNOGGNTSA-N. The full InChI is InChI=1S/C16H28O4/c1-10-5-6-14-11(2)12(3)17-9-18-16(4)8-7-13(10)15(14)19-20-16/h10-15H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15-,16+/m1/s1.
What are the key properties of (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane?
(1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane has a molecular weight of 284.40 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6R,11S,14R)-2,6,7,11-tetramethyl-8,10,12,13-tetraoxatricyclo[9.3.2.05,14]hexadecane is sourced from PubChem (CID 130279184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).