(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene

C6H8O — CID 11094544

IUPAC(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=C[C@@H]2O[C@@H]2CC1
InChIInChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2/t5-,6+/m0/s1
InChIKeyILSLNOWZSKKNJQ-NTSWFWBYSA-N
MW96.13 g/mol
LogP1.10
Rot. Bonds

About (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene

(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 11094544) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID11094544
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=C[C@@H]2O[C@@H]2CC1
InChIInChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2/t5-,6+/m0/s1
InChIKeyILSLNOWZSKKNJQ-NTSWFWBYSA-N
XLogP1.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Oxabicyclo(4.1.0)hept-3-ene
CID 97341
3-Methoxycyclohex-1-ene
CID 137685
7-Oxabicyclo[4.1.0]hept-2-ene
CID 160866
6-Oxabicyclo[3.1.0]hex-2-ene
CID 165574
8-Oxabicyclo(3.2.1)oct-3-ene
CID 18413946
3-Ethoxycyclohexene
CID 285902
(1R,6S)-7-oxabicyclo[4.1.0]hept-3-ene
CID 642956
(1R,5S)-6-oxabicyclo[3.1.0]hex-2-ene
CID 12406989
(1R,6S)-7-oxabicyclo[4.1.0]hept-2-ene
CID 642958
8-Oxabicyclo[5.1.0]oct-2-ene
CID 11029783
6-butyl-3,6-dihydro-2H-pyran
CID 12536732
8-Oxabicyclo[5.1.0]octa-2,4-diene
CID 12561969

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene (CID 11094544) is (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene is C1=C[C@@H]2O[C@@H]2CC1.
What is the InChIKey of (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is ILSLNOWZSKKNJQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2/t5-,6+/m0/s1.
What are the key properties of (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene?
(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 96.13 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 11094544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).