(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane

C10H16O — CID 102275589

IUPAC(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
SMILESC=C[C@@H]1C[C@H]2CCC[C@]1(C)O2
InChIInChI=1S/C10H16O/c1-3-8-7-9-5-4-6-10(8,2)11-9/h3,8-9H,1,4-7H2,2H3/t8-,9-,10+/m1/s1
InChIKeyBHSZJNQJEUVXDZ-BBBLOLIVSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds1

About (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane

(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane (PubChem CID 102275589) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
PubChem CID102275589
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
SMILESC=C[C@@H]1C[C@H]2CCC[C@]1(C)O2
InChIInChI=1S/C10H16O/c1-3-8-7-9-5-4-6-10(8,2)11-9/h3,8-9H,1,4-7H2,2H3/t8-,9-,10+/m1/s1
InChIKeyBHSZJNQJEUVXDZ-BBBLOLIVSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
CID 131853161
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
(4aS,5aR,6S,9S,9aS,10aS)-6,9-bis(ethenyl)-5a,9a-dimethyl-1,2,3,4,4a,6,7,8,9,10a-decahydrodibenzo-p-dioxin
CID 11737483
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645
1-methyl-5-(2-prop-2-enoxypropan-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 100953065
(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 10877125
2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
3-ethenyl-2,2-dimethyloxolane
CID 70126391
(2R,8R)-2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 101440859
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
CID 102462779
(2S,5S)-5-ethenyl-2-methyl-2-[(2R,5S)-5-methyl-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxolane
CID 11961349
5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 13296222

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane (CID 102275589) is (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane is C=C[C@@H]1C[C@H]2CCC[C@]1(C)O2.
What is the InChIKey of (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is BHSZJNQJEUVXDZ-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H16O/c1-3-8-7-9-5-4-6-10(8,2)11-9/h3,8-9H,1,4-7H2,2H3/t8-,9-,10+/m1/s1.
What are the key properties of (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 102275589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).