1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene

C10H16O — CID 139242869

IUPAC1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC(C)(C)C12CC=CCC1O2
InChIInChI=1S/C10H16O/c1-9(2,3)10-7-5-4-6-8(10)11-10/h4-5,8H,6-7H2,1-3H3
InChIKeyFPZXFUCDRARGAM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene

1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 139242869) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID139242869
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC(C)(C)C12CC=CCC1O2
InChIInChI=1S/C10H16O/c1-9(2,3)10-7-5-4-6-8(10)11-10/h4-5,8H,6-7H2,1-3H3
InChIKeyFPZXFUCDRARGAM-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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

13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl-
CID 6441804
1,5,5,7-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 162903457
(1R,3E,7E,11R)-1,5,5,7-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 162903458
1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 15577855
1-Ethyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 139242868
1,6-Dimethyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 13617157
7-Oxabicyclo[4.1.0]hept-3-ene, 1-(1-methylethyl)-
CID 45120436
1,5,5-Trimethyl-8-oxabicyclo[5.1.0]oct-3-ene
CID 129819932
1,2,2-Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 3037228
4-(3,3-Dimethylbutan-2-yloxy)cyclohexene
CID 19379319
6-Ethenyl-5,5-dimethyl-7-oxabicyclo[4.1.0]hept-2-ene
CID 53767125
4-(3,3-Dimethylbutoxy)cyclohexene
CID 57314537

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 139242869) is 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene is CC(C)(C)C12CC=CCC1O2.
What is the InChIKey of 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is FPZXFUCDRARGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2,3)10-7-5-4-6-8(10)11-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene?
1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 139242869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).