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

C15H26O — CID 22297710

IUPAC(1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
SMILESC[C@H]1CCC[C@@]2(C)CCC3C2[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-/m0/s1
InChIKeyGAZOZLXFXCZLCJ-LSWLGUJOSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds

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

(1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane (PubChem CID 22297710) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane.

Molecular Properties

Compound Name(1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
PubChem CID22297710
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
SMILESC[C@H]1CCC[C@@]2(C)CCC3C2[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-/m0/s1
InChIKeyGAZOZLXFXCZLCJ-LSWLGUJOSA-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 (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane with MolForge

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Related Compounds

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CID 102033115
(1R,2S,4aR,8S,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 91489543
1,4,12,12-tetramethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadecane
CID 73084164
(3R,4aS,5R,8aS)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 154723915
2-[(2R,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol
CID 44559303
1-[(2S,4aR,8R,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone
CID 146509778
1-[(2R,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone;1-[(2S,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone
CID 161105965

Frequently Asked Questions

What is the IUPAC name of (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
The IUPAC name of (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane (CID 22297710) is (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane.
What is the SMILES notation for (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
The canonical SMILES for (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane is C[C@H]1CCC[C@@]2(C)CCC3C2[C@H]1OC3(C)C.
What is the InChIKey of (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
The InChIKey is GAZOZLXFXCZLCJ-LSWLGUJOSA-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-/m0/s1.
What are the key properties of (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane?
(1S,4R,7S,11S)-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 (1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane is sourced from PubChem (CID 22297710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).