(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol

C11H18O2 — CID 166987475

IUPAC(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
SMILESO[C@H]1CC2C3CCC(C3)C2C[C@@H]1O
InChIInChI=1S/C11H18O2/c12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13/h6-13H,1-5H2/t6?,7?,8?,9?,10-,11-/m0/s1
InChIKeyRTMQUSAUSFGHNJ-FBCFSWGCSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol

(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol (PubChem CID 166987475) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol.

Molecular Properties

Compound Name(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
PubChem CID166987475
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
SMILESO[C@H]1CC2C3CCC(C3)C2C[C@@H]1O
InChIInChI=1S/C11H18O2/c12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13/h6-13H,1-5H2/t6?,7?,8?,9?,10-,11-/m0/s1
InChIKeyRTMQUSAUSFGHNJ-FBCFSWGCSA-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

(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
CID 98561743
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816
tricyclo[3.3.0.02,7]octane
CID 13112141
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 18390289
(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
(1S,2R,3R,5R,6S,8S,9S,11S,12R,13S)-pentacyclo[11.2.1.02,6.05,9.08,12]hexadecane-3,11-diol
CID 125035129
2-bromobicyclo[3.2.0]heptan-3-ol
CID 13087128

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol?
The IUPAC name of (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol (CID 166987475) is (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol.
What is the SMILES notation for (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol?
The canonical SMILES for (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol is O[C@H]1CC2C3CCC(C3)C2C[C@@H]1O.
What is the InChIKey of (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol?
The InChIKey is RTMQUSAUSFGHNJ-FBCFSWGCSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13/h6-13H,1-5H2/t6?,7?,8?,9?,10-,11-/m0/s1.
What are the key properties of (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol?
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-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 (4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol is sourced from PubChem (CID 166987475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).