(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol

C11H18O2 — CID 22215324

IUPAC(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol
SMILESOC1[C@H]2CC[C@@H]3[C@@H](CCC[C@@]13O)C2
InChIInChI=1S/C11H18O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9,10)13/h7-10,12-13H,1-6H2/t7-,8-,9+,10?,11-/m0/s1
InChIKeyGCZRVOVYRLIMPB-KLDZRKOQSA-N
MW182.26 g/mol
LogP1.31
Rot. Bonds

About (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol

(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol (PubChem CID 22215324) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol.

Molecular Properties

Compound Name(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol
PubChem CID22215324
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol
SMILESOC1[C@H]2CC[C@@H]3[C@@H](CCC[C@@]13O)C2
InChIInChI=1S/C11H18O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9,10)13/h7-10,12-13H,1-6H2/t7-,8-,9+,10?,11-/m0/s1
InChIKeyGCZRVOVYRLIMPB-KLDZRKOQSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
CID 130991380
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2-diol;3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-diol
CID 66937614
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
tricyclo[4.3.1.12,5]undecane
CID 13070377
2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
CID 130526368
(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
CID 15761090

Frequently Asked Questions

What is the IUPAC name of (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol?
The IUPAC name of (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol (CID 22215324) is (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol.
What is the SMILES notation for (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol?
The canonical SMILES for (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol is OC1[C@H]2CC[C@@H]3[C@@H](CCC[C@@]13O)C2.
What is the InChIKey of (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol?
The InChIKey is GCZRVOVYRLIMPB-KLDZRKOQSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9,10)13/h7-10,12-13H,1-6H2/t7-,8-,9+,10?,11-/m0/s1.
What are the key properties of (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol?
(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol has a molecular weight of 182.26 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol is sourced from PubChem (CID 22215324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).