tricyclo[4.3.1.13,8]undecane-2,7-diol

C11H18O2 — CID 12673622

IUPACtricyclo[4.3.1.13,8]undecane-2,7-diol
SMILESOC1C2CCC3CC1CC(C2)C3O
InChIInChI=1S/C11H18O2/c12-10-6-1-2-7-4-9(10)5-8(3-6)11(7)13/h6-13H,1-5H2
InChIKeyLFVBVHBJOCGBSN-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About tricyclo[4.3.1.13,8]undecane-2,7-diol

tricyclo[4.3.1.13,8]undecane-2,7-diol (PubChem CID 12673622) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is tricyclo[4.3.1.13,8]undecane-2,7-diol.

Molecular Properties

Compound Nametricyclo[4.3.1.13,8]undecane-2,7-diol
PubChem CID12673622
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametricyclo[4.3.1.13,8]undecane-2,7-diol
SMILESOC1C2CCC3CC1CC(C2)C3O
InChIInChI=1S/C11H18O2/c12-10-6-1-2-7-4-9(10)5-8(3-6)11(7)13/h6-13H,1-5H2
InChIKeyLFVBVHBJOCGBSN-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 171582038
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 11745067
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol
CID 12670787
(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
CID 98069750

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.13,8]undecane-2,7-diol?
The IUPAC name of tricyclo[4.3.1.13,8]undecane-2,7-diol (CID 12673622) is tricyclo[4.3.1.13,8]undecane-2,7-diol.
What is the SMILES notation for tricyclo[4.3.1.13,8]undecane-2,7-diol?
The canonical SMILES for tricyclo[4.3.1.13,8]undecane-2,7-diol is OC1C2CCC3CC1CC(C2)C3O.
What is the InChIKey of tricyclo[4.3.1.13,8]undecane-2,7-diol?
The InChIKey is LFVBVHBJOCGBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-6-1-2-7-4-9(10)5-8(3-6)11(7)13/h6-13H,1-5H2.
What are the key properties of tricyclo[4.3.1.13,8]undecane-2,7-diol?
tricyclo[4.3.1.13,8]undecane-2,7-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.13,8]undecane-2,7-diol is sourced from PubChem (CID 12673622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).