(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol

C12H18O — CID 98162193

IUPAC(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
SMILESO[C@@H]1CC[C@]23C=C[C@@]2(CCCC3)C1
InChIInChI=1S/C12H18O/c13-10-3-6-11-4-1-2-5-12(11,9-10)8-7-11/h7-8,10,13H,1-6,9H2/t10-,11-,12+/m1/s1
InChIKeyQFYIUKGKAKXHIP-UTUOFQBUSA-N
MW178.27 g/mol
LogP2.65
Rot. Bonds

About (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol

(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol (PubChem CID 98162193) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol.

Molecular Properties

Compound Name(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
PubChem CID98162193
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
SMILESO[C@@H]1CC[C@]23C=C[C@@]2(CCCC3)C1
InChIInChI=1S/C12H18O/c13-10-3-6-11-4-1-2-5-12(11,9-10)8-7-11/h7-8,10,13H,1-6,9H2/t10-,11-,12+/m1/s1
InChIKeyQFYIUKGKAKXHIP-UTUOFQBUSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
CID 98162186
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
CID 130622309
1-fluorocyclohexane-1,3-diol
CID 175445441
CID 102086095
CID 102086095
3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol
CID 116540086
3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol
CID 130839461
1-(1,3-dihydroxycyclopentyl)cyclopentane-1,2-diol
CID 90694398
spiro[4.5]decane-2,3-diol
CID 12530979
3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol
CID 116540088
(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
4-thiaspiro[2.5]octan-7-ol
CID 82417792
12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol
CID 13164271

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol?
The IUPAC name of (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol (CID 98162193) is (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol.
What is the SMILES notation for (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol?
The canonical SMILES for (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol is O[C@@H]1CC[C@]23C=C[C@@]2(CCCC3)C1.
What is the InChIKey of (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol?
The InChIKey is QFYIUKGKAKXHIP-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H18O/c13-10-3-6-11-4-1-2-5-12(11,9-10)8-7-11/h7-8,10,13H,1-6,9H2/t10-,11-,12+/m1/s1.
What are the key properties of (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol?
(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol has a molecular weight of 178.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol is sourced from PubChem (CID 98162193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).