(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol

C11H18O3 — CID 134238067

IUPAC(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol
SMILESCC1[C@H](C)C[C@]23C[C@H]1O[C@H]2CC(O)O3
InChIInChI=1S/C11H18O3/c1-6-4-11-5-8(7(6)2)13-9(11)3-10(12)14-11/h6-10,12H,3-5H2,1-2H3/t6-,7?,8-,9+,10?,11+/m1/s1
InChIKeyHHEBNTGNXRSVEH-TUMXGTQCSA-N
MW198.26 g/mol
LogP1.30
Rot. Bonds

About (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol

(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol (PubChem CID 134238067) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol.

Molecular Properties

Compound Name(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol
PubChem CID134238067
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol
SMILESCC1[C@H](C)C[C@]23C[C@H]1O[C@H]2CC(O)O3
InChIInChI=1S/C11H18O3/c1-6-4-11-5-8(7(6)2)13-9(11)3-10(12)14-11/h6-10,12H,3-5H2,1-2H3/t6-,7?,8-,9+,10?,11+/m1/s1
InChIKeyHHEBNTGNXRSVEH-TUMXGTQCSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol with MolForge

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Related Compounds

1-[(1S,6S,8R,9R,10R)-9,10-dimethyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propan-2-one
CID 122434780
1-[(1S,3R,6S,8R,10R)-9,10-dimethyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propan-2-one
CID 134238063
(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane
CID 58077834
3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol
CID 58077825
(5S,6R,7S)-5,7-dimethyl-4-oxaspiro[2.5]octane-2,6-diol
CID 163498543
(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 154026473
2-[(8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]ethanol
CID 88566895
methyl 2-[(1S,3R,6S,8R,9R,11R)-2,7-dioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]acetate
CID 135242532
2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
CID 142358304
3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 154329896
(1R,2S,4S,5S)-2-chloro-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 50930555
(1R,2R,3R,4S,5S)-2-chloro-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 130891792

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol?
The IUPAC name of (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol (CID 134238067) is (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol.
What is the SMILES notation for (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol?
The canonical SMILES for (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol is CC1[C@H](C)C[C@]23C[C@H]1O[C@H]2CC(O)O3.
What is the InChIKey of (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol?
The InChIKey is HHEBNTGNXRSVEH-TUMXGTQCSA-N. The full InChI is InChI=1S/C11H18O3/c1-6-4-11-5-8(7(6)2)13-9(11)3-10(12)14-11/h6-10,12H,3-5H2,1-2H3/t6-,7?,8-,9+,10?,11+/m1/s1.
What are the key properties of (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol?
(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol has a molecular weight of 198.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol is sourced from PubChem (CID 134238067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).