(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol

C12H18O2 — CID 147555988

IUPAC(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol
SMILESOCC[C@@]12C=CC(O)C1C1CCC2C1
InChIInChI=1S/C12H18O2/c13-6-5-12-4-3-10(14)11(12)8-1-2-9(12)7-8/h3-4,8-11,13-14H,1-2,5-7H2/t8?,9?,10?,11?,12-/m1/s1
InChIKeyFRRJWFBKUDUFAZ-MGEHAVSKSA-N
MW194.27 g/mol
LogP1.33
Rot. Bonds2

About (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol

(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol (PubChem CID 147555988) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol
PubChem CID147555988
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol
SMILESOCC[C@@]12C=CC(O)C1C1CCC2C1
InChIInChI=1S/C12H18O2/c13-6-5-12-4-3-10(14)11(12)8-1-2-9(12)7-8/h3-4,8-11,13-14H,1-2,5-7H2/t8?,9?,10?,11?,12-/m1/s1
InChIKeyFRRJWFBKUDUFAZ-MGEHAVSKSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,3S,4S)-3-(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131133850
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 100922080
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
CID 141120203
(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
CID 130877530
(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
CID 15761090
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843
[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
CID 11499250
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane
CID 152617048
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750752

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol?
The IUPAC name of (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol (CID 147555988) is (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol.
What is the SMILES notation for (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol?
The canonical SMILES for (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol is OCC[C@@]12C=CC(O)C1C1CCC2C1.
What is the InChIKey of (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol?
The InChIKey is FRRJWFBKUDUFAZ-MGEHAVSKSA-N. The full InChI is InChI=1S/C12H18O2/c13-6-5-12-4-3-10(14)11(12)8-1-2-9(12)7-8/h3-4,8-11,13-14H,1-2,5-7H2/t8?,9?,10?,11?,12-/m1/s1.
What are the key properties of (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol?
(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol has a molecular weight of 194.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol is sourced from PubChem (CID 147555988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).