(1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol

C11H16O — CID 101408374

IUPAC(1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
SMILESC=C[C@]1(O)C=C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H16O/c1-4-11(12)6-5-8-7-9(11)10(8,2)3/h4-6,8-9,12H,1,7H2,2-3H3/t8-,9+,11+/m1/s1
InChIKeyUZYUQWRBHSIYON-YWVKMMECSA-N
MW164.25 g/mol
LogP2.14
Rot. Bonds1

About (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol

(1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol (PubChem CID 101408374) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol.

Molecular Properties

Compound Name(1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
PubChem CID101408374
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
SMILESC=C[C@]1(O)C=C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H16O/c1-4-11(12)6-5-8-7-9(11)10(8,2)3/h4-6,8-9,12H,1,7H2,2-3H3/t8-,9+,11+/m1/s1
InChIKeyUZYUQWRBHSIYON-YWVKMMECSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.14
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,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The IUPAC name of (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol (CID 101408374) is (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol.
What is the SMILES notation for (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The canonical SMILES for (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol is C=C[C@]1(O)C=C[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The InChIKey is UZYUQWRBHSIYON-YWVKMMECSA-N. The full InChI is InChI=1S/C11H16O/c1-4-11(12)6-5-8-7-9(11)10(8,2)3/h4-6,8-9,12H,1,7H2,2-3H3/t8-,9+,11+/m1/s1.
What are the key properties of (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
(1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol is sourced from PubChem (CID 101408374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).