(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane

C15H26O — CID 162937715

IUPAC(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
SMILESC[C@@H]1CCC[C@]2(C)CC[C@H]3[C@H]2[C@@H]1OC3(C)C
InChIInChI=1S/C15H26O/c1-10-6-5-8-15(4)9-7-11-12(15)13(10)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13-,15-/m1/s1
InChIKeyGAZOZLXFXCZLCJ-NLRWUALESA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds

About (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane

(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane (PubChem CID 162937715) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane.

Molecular Properties

Compound Name(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
PubChem CID162937715
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
SMILESC[C@@H]1CCC[C@]2(C)CC[C@H]3[C@H]2[C@@H]1OC3(C)C
InChIInChI=1S/C15H26O/c1-10-6-5-8-15(4)9-7-11-12(15)13(10)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13-,15-/m1/s1
InChIKeyGAZOZLXFXCZLCJ-NLRWUALESA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane with MolForge

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Related Compounds

2H-3,9a-Methanocyclopent(b)oxocin, octahydro-2,2,6,9-tetramethyl-, (3R,6S,6aR,9S,9aS)-
CID 12302138
6,11-Epoxyisodaucane
CID 22297709
Liguloxide
CID 6429300
Guaioxide
CID 12302135
(1R,4S,7R,11R,12S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
CID 637331
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 10955170
(2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 88381
CID 139584090
CID 139584090
(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 91746519
(+)-6,11-Epoxy-isodaucane
CID 91751069
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 68733861
Bulnesoxid
CID 12302136

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
The IUPAC name of (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane (CID 162937715) is (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane.
What is the SMILES notation for (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
The canonical SMILES for (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane is C[C@@H]1CCC[C@]2(C)CC[C@H]3[C@H]2[C@@H]1OC3(C)C.
What is the InChIKey of (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
The InChIKey is GAZOZLXFXCZLCJ-NLRWUALESA-N. The full InChI is InChI=1S/C15H26O/c1-10-6-5-8-15(4)9-7-11-12(15)13(10)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13-,15-/m1/s1.
What are the key properties of (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane has a molecular weight of 222.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane is sourced from PubChem (CID 162937715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).