(7S)-3-oxabicyclo[5.1.0]oct-5-ene

C7H10O — CID 118908020

IUPAC(7S)-3-oxabicyclo[5.1.0]oct-5-ene
SMILESC1=C[C@@H]2CC2COC1
InChIInChI=1S/C7H10O/c1-2-6-4-7(6)5-8-3-1/h1-2,6-7H,3-5H2/t6-,7?/m1/s1
InChIKeyZFDCNUYGECRHJK-ULUSZKPHSA-N
MW110.16 g/mol
LogP1.21
Rot. Bonds

About (7S)-3-oxabicyclo[5.1.0]oct-5-ene

(7S)-3-oxabicyclo[5.1.0]oct-5-ene (PubChem CID 118908020) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (7S)-3-oxabicyclo[5.1.0]oct-5-ene.

Molecular Properties

Compound Name(7S)-3-oxabicyclo[5.1.0]oct-5-ene
PubChem CID118908020
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(7S)-3-oxabicyclo[5.1.0]oct-5-ene
SMILESC1=C[C@@H]2CC2COC1
InChIInChI=1S/C7H10O/c1-2-6-4-7(6)5-8-3-1/h1-2,6-7H,3-5H2/t6-,7?/m1/s1
InChIKeyZFDCNUYGECRHJK-ULUSZKPHSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.21
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 (7S)-3-oxabicyclo[5.1.0]oct-5-ene?
The IUPAC name of (7S)-3-oxabicyclo[5.1.0]oct-5-ene (CID 118908020) is (7S)-3-oxabicyclo[5.1.0]oct-5-ene.
What is the SMILES notation for (7S)-3-oxabicyclo[5.1.0]oct-5-ene?
The canonical SMILES for (7S)-3-oxabicyclo[5.1.0]oct-5-ene is C1=C[C@@H]2CC2COC1.
What is the InChIKey of (7S)-3-oxabicyclo[5.1.0]oct-5-ene?
The InChIKey is ZFDCNUYGECRHJK-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H10O/c1-2-6-4-7(6)5-8-3-1/h1-2,6-7H,3-5H2/t6-,7?/m1/s1.
What are the key properties of (7S)-3-oxabicyclo[5.1.0]oct-5-ene?
(7S)-3-oxabicyclo[5.1.0]oct-5-ene has a molecular weight of 110.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-oxabicyclo[5.1.0]oct-5-ene is sourced from PubChem (CID 118908020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).