1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane

C17H20O — CID 611084

IUPAC1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane
SMILESCCOC12CCCCC1C2=C=Cc1ccccc1
InChIInChI=1S/C17H20O/c1-2-18-17-13-7-6-10-15(17)16(17)12-11-14-8-4-3-5-9-14/h3-5,8-9,11,15H,2,6-7,10,13H2,1H3
InChIKeyMPHRLPVILMDWFU-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.20
Rot. Bonds3

About 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane

1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane (PubChem CID 611084) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane
PubChem CID611084
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane
SMILESCCOC12CCCCC1C2=C=Cc1ccccc1
InChIInChI=1S/C17H20O/c1-2-18-17-13-7-6-10-15(17)16(17)12-11-14-8-4-3-5-9-14/h3-5,8-9,11,15H,2,6-7,10,13H2,1H3
InChIKeyMPHRLPVILMDWFU-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[(E)-3-(2,6-dimethyloct-7-en-2-yloxy)prop-1-enyl]benzene
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[(E)-3-(3,7-dimethyloct-1-en-3-yloxy)prop-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane?
The IUPAC name of 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane (CID 611084) is 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane.
What is the SMILES notation for 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane?
The canonical SMILES for 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane is CCOC12CCCCC1C2=C=Cc1ccccc1.
What is the InChIKey of 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane?
The InChIKey is MPHRLPVILMDWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-2-18-17-13-7-6-10-15(17)16(17)12-11-14-8-4-3-5-9-14/h3-5,8-9,11,15H,2,6-7,10,13H2,1H3.
What are the key properties of 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane?
1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane has a molecular weight of 240.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane is sourced from PubChem (CID 611084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).