(1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol

C17H24O — CID 10377180

IUPAC(1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol
SMILESC[C@]12C=C[C@](C)(CC1)[C@@](O)(C1=C[C@@H]3CC[C@H]1C3)C2
InChIInChI=1S/C17H24O/c1-15-5-7-16(2,8-6-15)17(18,11-15)14-10-12-3-4-13(14)9-12/h5,7,10,12-13,18H,3-4,6,8-9,11H2,1-2H3/t12-,13+,15+,16-,17+/m1/s1
InChIKeyFUVWMKIGZVDXAC-XLTGGDBASA-N
MW244.38 g/mol
LogP3.84
Rot. Bonds1

About (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol

(1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol (PubChem CID 10377180) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol
PubChem CID10377180
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol
SMILESC[C@]12C=C[C@](C)(CC1)[C@@](O)(C1=C[C@@H]3CC[C@H]1C3)C2
InChIInChI=1S/C17H24O/c1-15-5-7-16(2,8-6-15)17(18,11-15)14-10-12-3-4-13(14)9-12/h5,7,10,12-13,18H,3-4,6,8-9,11H2,1-2H3/t12-,13+,15+,16-,17+/m1/s1
InChIKeyFUVWMKIGZVDXAC-XLTGGDBASA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol?
The IUPAC name of (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol (CID 10377180) is (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol.
What is the SMILES notation for (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol?
The canonical SMILES for (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol is C[C@]12C=C[C@](C)(CC1)[C@@](O)(C1=C[C@@H]3CC[C@H]1C3)C2.
What is the InChIKey of (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol?
The InChIKey is FUVWMKIGZVDXAC-XLTGGDBASA-N. The full InChI is InChI=1S/C17H24O/c1-15-5-7-16(2,8-6-15)17(18,11-15)14-10-12-3-4-13(14)9-12/h5,7,10,12-13,18H,3-4,6,8-9,11H2,1-2H3/t12-,13+,15+,16-,17+/m1/s1.
What are the key properties of (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol?
(1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol has a molecular weight of 244.38 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-[(1S,4R)-2-bicyclo[2.2.1]hept-2-enyl]-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-ol is sourced from PubChem (CID 10377180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).