(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol

C8H12O2 — CID 11990949

IUPAC(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol
SMILESC=C[C@]1(O)CC[C@H]2O[C@]21C
InChIInChI=1S/C8H12O2/c1-3-8(9)5-4-6-7(8,2)10-6/h3,6,9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeySQHOZGVLIWOVCJ-PRJMDXOYSA-N
MW140.18 g/mol
LogP0.85
Rot. Bonds1

About (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol

(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol (PubChem CID 11990949) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol
PubChem CID11990949
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol
SMILESC=C[C@]1(O)CC[C@H]2O[C@]21C
InChIInChI=1S/C8H12O2/c1-3-8(9)5-4-6-7(8,2)10-6/h3,6,9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeySQHOZGVLIWOVCJ-PRJMDXOYSA-N
XLogP0.85
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.85
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

2-(1,2-dimethyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetic acid
CID 167313981
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
CID 70555930
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(4aR,8aR)-1-ethenyl-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol;carbon dioxide
CID 157304602
2-ethenyl-5-ethyl-2-methyloxolane
CID 6431150
1,3-bis[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-one
CID 54545713
(2S,5S)-5-ethenyl-2-methyl-2-[(2R,5S)-5-methyl-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxolane
CID 11961349

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol (CID 11990949) is (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol is C=C[C@]1(O)CC[C@H]2O[C@]21C.
What is the InChIKey of (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol?
The InChIKey is SQHOZGVLIWOVCJ-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(9)5-4-6-7(8,2)10-6/h3,6,9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol?
(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol has a molecular weight of 140.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 11990949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).