(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane

C15H26O — CID 10775429

IUPAC(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
SMILESC[C@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12OC3(C)C
InChIInChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKeyHVAVUZLEYSAYGE-NEBZKDRISA-N
MW222.37 g/mol
LogP4.16
Rot. Bonds

About (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane

(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane (PubChem CID 10775429) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane.

Molecular Properties

Compound Name(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
PubChem CID10775429
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
SMILESC[C@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12OC3(C)C
InChIInChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKeyHVAVUZLEYSAYGE-NEBZKDRISA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane with MolForge

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Related Compounds

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Baimuxinol
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CID 12838593
(3aR,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
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Dihydro-beta-agarofuran
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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane?
The IUPAC name of (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane (CID 10775429) is (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane.
What is the SMILES notation for (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane?
The canonical SMILES for (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane is C[C@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12OC3(C)C.
What is the InChIKey of (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane?
The InChIKey is HVAVUZLEYSAYGE-NEBZKDRISA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1.
What are the key properties of (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane?
(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane has a molecular weight of 222.37 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane is sourced from PubChem (CID 10775429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).