(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol

C11H14O2 — CID 100922080

IUPAC(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
SMILESOC[C@]12C=CC(O)C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C11H14O2/c12-6-11-4-3-9(13)10(11)7-1-2-8(11)5-7/h1-4,7-10,12-13H,5-6H2/t7-,8+,9?,10?,11-/m0/s1
InChIKeyBKDVOVVJBOIQAN-SHGARLFGSA-N
MW178.23 g/mol
LogP0.72
Rot. Bonds1

About (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol

(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol (PubChem CID 100922080) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol.

Molecular Properties

Compound Name(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
PubChem CID100922080
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
SMILESOC[C@]12C=CC(O)C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C11H14O2/c12-6-11-4-3-9(13)10(11)7-1-2-8(11)5-7/h1-4,7-10,12-13H,5-6H2/t7-,8+,9?,10?,11-/m0/s1
InChIKeyBKDVOVVJBOIQAN-SHGARLFGSA-N
XLogP0.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.72
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

2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
CID 141120203
(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 147555988
[3-butyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 18761719
2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 85377571
(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
CID 110172348
(2S,3R)-3-(hydroxymethyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130884529
5,5-dichloro-6-ethylbicyclo[2.2.1]hept-2-ene
CID 21396922
(1S,2R,4R)-3,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51411750
tricyclo[5.2.1.02,6]deca-3,8-diene-2-carboxylic acid
CID 90074838
ethyl 2-[(1S,2R,3S,6R,7S,8R)-3,6-dihydroxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]acetate
CID 10923410
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol
CID 134875141

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The IUPAC name of (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol (CID 100922080) is (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol.
What is the SMILES notation for (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The canonical SMILES for (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol is OC[C@]12C=CC(O)C1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The InChIKey is BKDVOVVJBOIQAN-SHGARLFGSA-N. The full InChI is InChI=1S/C11H14O2/c12-6-11-4-3-9(13)10(11)7-1-2-8(11)5-7/h1-4,7-10,12-13H,5-6H2/t7-,8+,9?,10?,11-/m0/s1.
What are the key properties of (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol has a molecular weight of 178.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol is sourced from PubChem (CID 100922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).