(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol

C8H10O2 — CID 14661575

IUPAC(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESC=C[C@]1(O)C[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C8H10O2/c1-2-8(9)5-6-3-4-7(8)10-6/h2-4,6-7,9H,1,5H2/t6-,7+,8+/m1/s1
InChIKeyCMOKOWWECZSBKK-CSMHCCOUSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds1

About (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol

(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 14661575) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
PubChem CID14661575
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESC=C[C@]1(O)C[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C8H10O2/c1-2-8(9)5-6-3-4-7(8)10-6/h2-4,6-7,9H,1,5H2/t6-,7+,8+/m1/s1
InChIKeyCMOKOWWECZSBKK-CSMHCCOUSA-N
XLogP0.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3aS,6R,7aS)-3,6,7,7a-tetrahydro-2H-1-benzofuran-3a,6-diol
CID 101921142
3,6,7,7a-tetrahydro-2H-1-benzofuran-3a,6-diol
CID 14237489
(1R,2R,3S,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 11557285
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 349712
5,6-Dimethoxy methyl-7-oxanorbornene
CID 68965355
(1S,2S,4S)-2-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 10034638
(3R,4E)-4-heptylidene-2,2-dimethyloxolan-3-ol
CID 101404098
ethyl (E)-3-(2-hydroxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl)prop-2-enoate
CID 102411748
(2R,3S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 133633629
(1S,2S,4R)-3,3-difluoro-2-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol (CID 14661575) is (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol is C=C[C@]1(O)C[C@H]2C=C[C@@H]1O2.
What is the InChIKey of (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is CMOKOWWECZSBKK-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-8(9)5-6-3-4-7(8)10-6/h2-4,6-7,9H,1,5H2/t6-,7+,8+/m1/s1.
What are the key properties of (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 138.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 14661575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).