(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine

C16H20O — CID 122395889

IUPAC(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine
SMILESC=C/C1=C/CCCCOC1(C)c1ccccc1
InChIInChI=1S/C16H20O/c1-3-14-10-8-5-9-13-17-16(14,2)15-11-6-4-7-12-15/h3-4,6-7,10-12H,1,5,8-9,13H2,2H3/b14-10-
InChIKeyDBQBNIWEHRUEIP-UVTDQMKNSA-N
MW228.34 g/mol
LogP4.21
Rot. Bonds2

About (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine

(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine (PubChem CID 122395889) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine.

Molecular Properties

Compound Name(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine
PubChem CID122395889
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine
SMILESC=C/C1=C/CCCCOC1(C)c1ccccc1
InChIInChI=1S/C16H20O/c1-3-14-10-8-5-9-13-17-16(14,2)15-11-6-4-7-12-15/h3-4,6-7,10-12H,1,5,8-9,13H2,2H3/b14-10-
InChIKeyDBQBNIWEHRUEIP-UVTDQMKNSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine?
The IUPAC name of (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine (CID 122395889) is (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine.
What is the SMILES notation for (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine?
The canonical SMILES for (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine is C=C/C1=C/CCCCOC1(C)c1ccccc1.
What is the InChIKey of (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine?
The InChIKey is DBQBNIWEHRUEIP-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H20O/c1-3-14-10-8-5-9-13-17-16(14,2)15-11-6-4-7-12-15/h3-4,6-7,10-12H,1,5,8-9,13H2,2H3/b14-10-.
What are the key properties of (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine?
(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine has a molecular weight of 228.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine is sourced from PubChem (CID 122395889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).