(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane

C8H12O — CID 15313308

IUPAC(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
SMILESC=C[C@H]1OC[C@@]2(C)C[C@@H]12
InChIInChI=1S/C8H12O/c1-3-7-6-4-8(6,2)5-9-7/h3,6-7H,1,4-5H2,2H3/t6-,7+,8+/m0/s1
InChIKeyAJUHUHZHWQLQCW-XLPZGREQSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds1

About (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane

(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 15313308) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
PubChem CID15313308
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
SMILESC=C[C@H]1OC[C@@]2(C)C[C@@H]12
InChIInChI=1S/C8H12O/c1-3-7-6-4-8(6,2)5-9-7/h3,6-7H,1,4-5H2,2H3/t6-,7+,8+/m0/s1
InChIKeyAJUHUHZHWQLQCW-XLPZGREQSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-1-methyl-4-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexane
CID 102095400
2-ethenyl-3-methyl-5,5-diphenyloxane
CID 102152254
(4S)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 89495539
4-ethenyl-5-methyl-1,3-dioxolane
CID 154265114
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
[(1S,4S,5S,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 6544665
[(1S,4S,5S,8S,9S)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 6955037
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722
4-ethenyl-2,2-dimethylpyrrolidine
CID 145126401
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
CID 143261797

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane (CID 15313308) is (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane is C=C[C@H]1OC[C@@]2(C)C[C@@H]12.
What is the InChIKey of (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is AJUHUHZHWQLQCW-XLPZGREQSA-N. The full InChI is InChI=1S/C8H12O/c1-3-7-6-4-8(6,2)5-9-7/h3,6-7H,1,4-5H2,2H3/t6-,7+,8+/m0/s1.
What are the key properties of (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane?
(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 124.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 15313308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).