(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane

C15H24O3 — CID 101031526

IUPAC(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
SMILESCC1(C)C[C@H]2O[C@]2(C)CC[C@H]2O[C@]2(C)C[C@@H]2O[C@H]21
InChIInChI=1S/C15H24O3/c1-13(2)8-11-14(3,18-11)6-5-10-15(4,17-10)7-9-12(13)16-9/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1
InChIKeyDKHWLZDWNCVYPO-RWBGOSSDSA-N
MW252.35 g/mol
LogP2.67
Rot. Bonds

About (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane

(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane (PubChem CID 101031526) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane.

Molecular Properties

Compound Name(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
PubChem CID101031526
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
SMILESCC1(C)C[C@H]2O[C@]2(C)CC[C@H]2O[C@]2(C)C[C@@H]2O[C@H]21
InChIInChI=1S/C15H24O3/c1-13(2)8-11-14(3,18-11)6-5-10-15(4,17-10)7-9-12(13)16-9/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1
InChIKeyDKHWLZDWNCVYPO-RWBGOSSDSA-N
XLogP2.67
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane?
The IUPAC name of (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane (CID 101031526) is (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane.
What is the SMILES notation for (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane?
The canonical SMILES for (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane is CC1(C)C[C@H]2O[C@]2(C)CC[C@H]2O[C@]2(C)C[C@@H]2O[C@H]21.
What is the InChIKey of (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane?
The InChIKey is DKHWLZDWNCVYPO-RWBGOSSDSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2)8-11-14(3,18-11)6-5-10-15(4,17-10)7-9-12(13)16-9/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1.
What are the key properties of (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane?
(1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane has a molecular weight of 252.35 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,8R,10R,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane is sourced from PubChem (CID 101031526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).