(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol

C12H20O — CID 98162186

IUPAC(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
SMILESO[C@@H]1CC[C@]23CCCC[C@]2(CC3)C1
InChIInChI=1S/C12H20O/c13-10-3-6-11-4-1-2-5-12(11,9-10)8-7-11/h10,13H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyGKVCHKMWBWGAAV-WOPDTQHZSA-N
MW180.29 g/mol
LogP2.87
Rot. Bonds

About (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol

(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol (PubChem CID 98162186) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol.

Molecular Properties

Compound Name(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
PubChem CID98162186
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
SMILESO[C@@H]1CC[C@]23CCCC[C@]2(CC3)C1
InChIInChI=1S/C12H20O/c13-10-3-6-11-4-1-2-5-12(11,9-10)8-7-11/h10,13H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyGKVCHKMWBWGAAV-WOPDTQHZSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol
CID 102268829
12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol
CID 13164271
(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
CID 98162193
(1R,6S,7R)-tricyclo[4.3.1.01,6]decan-7-ol
CID 131155644
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
CID 130622309
5,5-dimethylcyclononan-1-ol
CID 130122952
1-(1,3-dihydroxycyclopentyl)cyclopentane-1,2-diol
CID 90694398
(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
CID 98555342
(1S,6R,8R,10R,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
CID 124812690
(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
1-fluorocyclohexane-1,3-diol
CID 175445441
1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
CID 13184607

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol?
The IUPAC name of (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol (CID 98162186) is (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol.
What is the SMILES notation for (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol?
The canonical SMILES for (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol is O[C@@H]1CC[C@]23CCCC[C@]2(CC3)C1.
What is the InChIKey of (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol?
The InChIKey is GKVCHKMWBWGAAV-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H20O/c13-10-3-6-11-4-1-2-5-12(11,9-10)8-7-11/h10,13H,1-9H2/t10-,11+,12+/m1/s1.
What are the key properties of (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol?
(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol has a molecular weight of 180.29 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol is sourced from PubChem (CID 98162186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).