(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol

C11H16O — CID 124525528

IUPAC(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol
SMILESO[C@H]1C=C2[C@H]3CCC[C@@H](C3)[C@@H]2C1
InChIInChI=1S/C11H16O/c12-9-5-10-7-2-1-3-8(4-7)11(10)6-9/h5,7-9,11-12H,1-4,6H2/t7-,8-,9-,11-/m0/s1
InChIKeyGPIVXAKVGUQXEF-KBIXCLLPSA-N
MW164.25 g/mol
LogP2.11
Rot. Bonds

About (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol

(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol (PubChem CID 124525528) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol.

Molecular Properties

Compound Name(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol
PubChem CID124525528
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol
SMILESO[C@H]1C=C2[C@H]3CCC[C@@H](C3)[C@@H]2C1
InChIInChI=1S/C11H16O/c12-9-5-10-7-2-1-3-8(4-7)11(10)6-9/h5,7-9,11-12H,1-4,6H2/t7-,8-,9-,11-/m0/s1
InChIKeyGPIVXAKVGUQXEF-KBIXCLLPSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol?
The IUPAC name of (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol (CID 124525528) is (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol.
What is the SMILES notation for (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol?
The canonical SMILES for (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol is O[C@H]1C=C2[C@H]3CCC[C@@H](C3)[C@@H]2C1.
What is the InChIKey of (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol?
The InChIKey is GPIVXAKVGUQXEF-KBIXCLLPSA-N. The full InChI is InChI=1S/C11H16O/c12-9-5-10-7-2-1-3-8(4-7)11(10)6-9/h5,7-9,11-12H,1-4,6H2/t7-,8-,9-,11-/m0/s1.
What are the key properties of (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol?
(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol has a molecular weight of 164.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol is sourced from PubChem (CID 124525528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).