(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol

C10H14O2 — CID 11469283

IUPAC(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESC=C[C@]12CCC[C@@H](O)[C@@]1(C=C)O2
InChIInChI=1S/C10H14O2/c1-3-9-7-5-6-8(11)10(9,4-2)12-9/h3-4,8,11H,1-2,5-7H2/t8-,9+,10-/m1/s1
InChIKeySLLYXAIKRORKKS-KXUCPTDWSA-N
MW166.22 g/mol
LogP1.41
Rot. Bonds2

About (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol

(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol (PubChem CID 11469283) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol
PubChem CID11469283
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESC=C[C@]12CCC[C@@H](O)[C@@]1(C=C)O2
InChIInChI=1S/C10H14O2/c1-3-9-7-5-6-8(11)10(9,4-2)12-9/h3-4,8,11H,1-2,5-7H2/t8-,9+,10-/m1/s1
InChIKeySLLYXAIKRORKKS-KXUCPTDWSA-N
XLogP1.41
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
1-ethenyl-9-oxabicyclo[6.1.0]nonane
CID 57483484
2-oxaspiro[3.4]octan-5-ol
CID 178199967
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
(1aR,4aR,5R,8aS)-4a-prop-2-enyl-1a,2,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-ol
CID 23245250
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
2-ethenyl-2,3-dimethylcyclohexan-1-ol
CID 14604704
1-trimethylsilylcyclopentane-1,2-diol
CID 78128825
spiro[4.5]decan-4-ol;dihydrochloride
CID 141041320

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol (CID 11469283) is (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol is C=C[C@]12CCC[C@@H](O)[C@@]1(C=C)O2.
What is the InChIKey of (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is SLLYXAIKRORKKS-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-9-7-5-6-8(11)10(9,4-2)12-9/h3-4,8,11H,1-2,5-7H2/t8-,9+,10-/m1/s1.
What are the key properties of (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol?
(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 11469283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).