2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C10H14O — CID 139242832

IUPAC2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC(C)(C)C1=CC=CC2OC12
InChIInChI=1S/C10H14O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h4-6,8-9H,1-3H3
InChIKeyYMLDPRIQLIKIED-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 139242832) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID139242832
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC(C)(C)C1=CC=CC2OC12
InChIInChI=1S/C10H14O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h4-6,8-9H,1-3H3
InChIKeyYMLDPRIQLIKIED-UHFFFAOYSA-N
XLogP2.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
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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Related Compounds

1,2-Epoxy-1-phenyl-ethane
CID 22121529
1,3,5-Trimethyl-7-oxabicyclo(4.1.0)hepta-2,4-diene
CID 71361380
2,6-Dimethylphenylene oxide
CID 87133361
1,2-Epoxyphenylpropane
CID 129667611
3-Vinyltoluene oxide
CID 129717860
8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene
CID 585001
7-Oxabicyclo[4.1.0]hepta-2,4-diene, 2-methyl-
CID 10329262
7-Methoxybicyclo[4.1.0]hepta-1,3-diene
CID 91426324
(r)-(+)-1,2-Epoxy-1-phenylethane
CID 129746015
3,4-Dimethylbenzene oxide
CID 129868339
2-Ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 139242830
2-Propan-2-yl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 139242831

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 139242832) is 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CC(C)(C)C1=CC=CC2OC12.
What is the InChIKey of 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is YMLDPRIQLIKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h4-6,8-9H,1-3H3.
What are the key properties of 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 150.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 139242832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).