(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane

C10H16O — CID 163031293

IUPAC(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
SMILESC=C[C@@H]1[C@@H]2C(C)(C)OC[C@]12C
InChIInChI=1S/C10H16O/c1-5-7-8-9(2,3)11-6-10(7,8)4/h5,7-8H,1,6H2,2-4H3/t7-,8-,10-/m1/s1
InChIKeyHHDOWVHECSBICN-NQMVMOMDSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds1

About (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane

(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 163031293) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
PubChem CID163031293
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
SMILESC=C[C@@H]1[C@@H]2C(C)(C)OC[C@]12C
InChIInChI=1S/C10H16O/c1-5-7-8-9(2,3)11-6-10(7,8)4/h5,7-8H,1,6H2,2-4H3/t7-,8-,10-/m1/s1
InChIKeyHHDOWVHECSBICN-NQMVMOMDSA-N
XLogP2.23
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 ≤ 52.23
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

Artemiseole
CID 521927
(1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
CID 163031292
(1R,5S,6S)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
CID 11008115
(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
CID 15313308
(1S,4R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
CID 102095399
3-Ethenyl-2,2-dimethyloxane
CID 69532542
3-Ethenyl-2,2,3-trimethyloxane
CID 69533065
4-Ethenyl-4-ethyl-2,2-dimethyloxane
CID 123243919
4-Ethenyl-2,2-dimethyloxane
CID 126629250
2,2,4-Trimethyl-4-prop-2-enyloxane
CID 129106228
4-Ethenyl-2,2,4-trimethyloxane
CID 138507369
(3R,4S)-4-tert-butyl-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)oxolane
CID 146620847

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane (CID 163031293) is (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane is C=C[C@@H]1[C@@H]2C(C)(C)OC[C@]12C.
What is the InChIKey of (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is HHDOWVHECSBICN-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H16O/c1-5-7-8-9(2,3)11-6-10(7,8)4/h5,7-8H,1,6H2,2-4H3/t7-,8-,10-/m1/s1.
What are the key properties of (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 152.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 163031293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).