(1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H10O — CID 139248817

IUPAC(1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC[C@@]12C=CC=C[C@]1(C)O2
InChIInChI=1S/C8H10O/c1-7-5-3-4-6-8(7,2)9-7/h3-6H,1-2H3/t7-,8+
InChIKeyBLNGVSNTBOHTLC-OCAPTIKFSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

(1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 139248817) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name(1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID139248817
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC[C@@]12C=CC=C[C@]1(C)O2
InChIInChI=1S/C8H10O/c1-7-5-3-4-6-8(7,2)9-7/h3-6H,1-2H3/t7-,8+
InChIKeyBLNGVSNTBOHTLC-OCAPTIKFSA-N
XLogP1.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 139248817) is (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is C[C@@]12C=CC=C[C@]1(C)O2.
What is the InChIKey of (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is BLNGVSNTBOHTLC-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H10O/c1-7-5-3-4-6-8(7,2)9-7/h3-6H,1-2H3/t7-,8+.
What are the key properties of (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
(1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1,6-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 139248817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).