1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H10O — CID 87133361

IUPAC1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=CC2(C)OC12
InChIInChI=1S/C8H10O/c1-6-4-3-5-8(2)7(6)9-8/h3-5,7H,1-2H3
InChIKeyICMZFZGUTLNLAJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 87133361) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID87133361
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=CC2(C)OC12
InChIInChI=1S/C8H10O/c1-6-4-3-5-8(2)7(6)9-8/h3-5,7H,1-2H3
InChIKeyICMZFZGUTLNLAJ-UHFFFAOYSA-N
XLogP1.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
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

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CID 6538431
2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
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CID 14701631
E-Ocimene oxide
CID 6429141
Epoxycimene
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Quinceoxepine
CID 131752304
2,6-Dimethyl-2,3R-epoxyocta-5E,7-diene
CID 14701630
(3S)-2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane
CID 10898884
7-Oxabicyclo(4.1.0)hepta-2,4-diene, 1-vinyl-
CID 149629
1-Vinylbenzene-3,4-oxide
CID 3035209
7-Oxabicyclo[4.1.0]hepta-2,4-diene, 1-methyl-
CID 10240782
Allylbenzene oxide
CID 21963701

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 87133361) is 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CC1=CC=CC2(C)OC12.
What is the InChIKey of 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is ICMZFZGUTLNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-6-4-3-5-8(2)7(6)9-8/h3-5,7H,1-2H3.
What are the key properties of 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 87133361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).