(1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol

C10H16O2 — CID 134875328

IUPAC(1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol
SMILESCO[C@]12CC[C@](C)(C=C[C@@H]1O)C2
InChIInChI=1S/C10H16O2/c1-9-4-3-8(11)10(7-9,12-2)6-5-9/h3-4,8,11H,5-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyZOJDRWULFZNGIW-GUBZILKMSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds1

About (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol

(1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 134875328) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol
PubChem CID134875328
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol
SMILESCO[C@]12CC[C@](C)(C=C[C@@H]1O)C2
InChIInChI=1S/C10H16O2/c1-9-4-3-8(11)10(7-9,12-2)6-5-9/h3-4,8,11H,5-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyZOJDRWULFZNGIW-GUBZILKMSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol (CID 134875328) is (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol is CO[C@]12CC[C@](C)(C=C[C@@H]1O)C2.
What is the InChIKey of (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is ZOJDRWULFZNGIW-GUBZILKMSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-4-3-8(11)10(7-9,12-2)6-5-9/h3-4,8,11H,5-7H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol?
(1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-1-methoxy-5-methylbicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 134875328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).