benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene

C10H10O2 — CID 174838408

IUPACbenzene;2,6-dioxabicyclo[3.1.0]hex-3-ene
SMILESC1=CC2OC2O1.c1ccccc1
InChIInChI=1S/C6H6.C4H4O2/c1-2-4-6-5-3-1;1-2-5-4-3(1)6-4/h1-6H;1-4H
InChIKeyKOZWVQNOASPFFU-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.94
Rot. Bonds

About benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene

benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene (PubChem CID 174838408) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Namebenzene;2,6-dioxabicyclo[3.1.0]hex-3-ene
PubChem CID174838408
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namebenzene;2,6-dioxabicyclo[3.1.0]hex-3-ene
SMILESC1=CC2OC2O1.c1ccccc1
InChIInChI=1S/C6H6.C4H4O2/c1-2-4-6-5-3-1;1-2-5-4-3(1)6-4/h1-6H;1-4H
InChIKeyKOZWVQNOASPFFU-UHFFFAOYSA-N
XLogP1.94
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene?
The IUPAC name of benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene (CID 174838408) is benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene is C1=CC2OC2O1.c1ccccc1.
What is the InChIKey of benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene?
The InChIKey is KOZWVQNOASPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H4O2/c1-2-4-6-5-3-1;1-2-5-4-3(1)6-4/h1-6H;1-4H.
What are the key properties of benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene?
benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene has a molecular weight of 162.19 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 174838408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).