1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol

C11H18O3 — CID 15051539

IUPAC1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCC1(C)OC2C(O)C3(C)CC1C2(C)O3
InChIInChI=1S/C11H18O3/c1-9(2)6-5-10(3)7(12)8(13-9)11(6,4)14-10/h6-8,12H,5H2,1-4H3
InChIKeyVFYYMDURPXBRLC-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.09
Rot. Bonds

About 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol

1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 15051539) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID15051539
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCC1(C)OC2C(O)C3(C)CC1C2(C)O3
InChIInChI=1S/C11H18O3/c1-9(2)6-5-10(3)7(12)8(13-9)11(6,4)14-10/h6-8,12H,5H2,1-4H3
InChIKeyVFYYMDURPXBRLC-UHFFFAOYSA-N
XLogP1.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol
CID 177442847
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
[(1R,3S,4S,6S,8S,9S)-9-hydroxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl] 2,2-dimethylpropanoate
CID 25093125
(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
CID 10988274
(1R,5S)-1,4,4-trimethyl-3,8-dioxabicyclo[3.2.1]octan-2-ol
CID 130809034
(5S,7R)-1-(hydroxymethyl)-3,3-dimethyl-2,6-dioxabicyclo[3.1.1]heptane-4,7-diol
CID 89359561
(5S,7S)-1-(hydroxymethyl)-3,3-dimethyl-2,6-dioxabicyclo[3.1.1]heptane-4,7-diol
CID 89359599
(1S)-3-ethyl-5-methyl-6-oxabicyclo[3.2.1]octane-4,7-diol
CID 89105996
1,3-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 130152486
4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol
CID 130145168
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
(1R,2R,5S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octan-5-ol
CID 126695105

Frequently Asked Questions

What is the IUPAC name of 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol (CID 15051539) is 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol is CC1(C)OC2C(O)C3(C)CC1C2(C)O3.
What is the InChIKey of 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is VFYYMDURPXBRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(2)6-5-10(3)7(12)8(13-9)11(6,4)14-10/h6-8,12H,5H2,1-4H3.
What are the key properties of 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol?
1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 198.26 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 15051539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).