(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane

C12H20O2 — CID 168806691

IUPAC(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
SMILESCC(C)[C@H]1CC2CO[C@H]3OCC[C@@H]1[C@@H]23
InChIInChI=1S/C12H20O2/c1-7(2)10-5-8-6-14-12-11(8)9(10)3-4-13-12/h7-12H,3-6H2,1-2H3/t8?,9-,10+,11+,12+/m0/s1
InChIKeySKUHTCDALKJXKJ-FPNNGLGKSA-N
MW196.29 g/mol
LogP2.29
Rot. Bonds1

About (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane

(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane (PubChem CID 168806691) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane.

Molecular Properties

Compound Name(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
PubChem CID168806691
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
SMILESCC(C)[C@H]1CC2CO[C@H]3OCC[C@@H]1[C@@H]23
InChIInChI=1S/C12H20O2/c1-7(2)10-5-8-6-14-12-11(8)9(10)3-4-13-12/h7-12H,3-6H2,1-2H3/t8?,9-,10+,11+,12+/m0/s1
InChIKeySKUHTCDALKJXKJ-FPNNGLGKSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane with MolForge

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Related Compounds

(1S,4S,6R,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-ol
CID 138979764
methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 160985964
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768058
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
The IUPAC name of (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane (CID 168806691) is (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane.
What is the SMILES notation for (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
The canonical SMILES for (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane is CC(C)[C@H]1CC2CO[C@H]3OCC[C@@H]1[C@@H]23.
What is the InChIKey of (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
The InChIKey is SKUHTCDALKJXKJ-FPNNGLGKSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)10-5-8-6-14-12-11(8)9(10)3-4-13-12/h7-12H,3-6H2,1-2H3/t8?,9-,10+,11+,12+/m0/s1.
What are the key properties of (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane has a molecular weight of 196.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane is sourced from PubChem (CID 168806691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).