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

C10H16O — CID 163031292

IUPAC(1S,5R,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-WEDXCCLWSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds1

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

(1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 163031292) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
PubChem CID163031292
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,5R,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-WEDXCCLWSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane (CID 163031292) is (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R,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 (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is HHDOWVHECSBICN-WEDXCCLWSA-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 (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane?
(1S,5R,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 (1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 163031292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).