2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

C11H14O2 — CID 151188668

IUPAC2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESCCCOc1ccc(CC)c2c1O2
InChIInChI=1S/C11H14O2/c1-3-7-12-9-6-5-8(4-2)10-11(9)13-10/h5-6H,3-4,7H2,1-2H3
InChIKeyNFVSHFFFNAANEM-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.14
Rot. Bonds4

About 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 151188668) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID151188668
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESCCCOc1ccc(CC)c2c1O2
InChIInChI=1S/C11H14O2/c1-3-7-12-9-6-5-8(4-2)10-11(9)13-10/h5-6H,3-4,7H2,1-2H3
InChIKeyNFVSHFFFNAANEM-UHFFFAOYSA-N
XLogP3.14
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.14
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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Related Compounds

2-propoxy-5-propyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 154277902
N,N-bis(oxiran-2-ylmethyl)-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-amine
CID 88652048
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
3-(2,3,4-tripropoxyphenyl)propan-1-amine
CID 95421402
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
CID 165446942
(1R,8S,15R,19S)-3,6-dipropoxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 102511150
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
CID 143169475

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (CID 151188668) is 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is CCCOc1ccc(CC)c2c1O2.
What is the InChIKey of 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is NFVSHFFFNAANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-7-12-9-6-5-8(4-2)10-11(9)13-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 178.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 151188668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).