2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one

C20H26O — CID 134950762

IUPAC2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one
SMILESO=C1CCCCCCCCCC=C1/C=C/c1ccccc1
InChIInChI=1S/C20H26O/c21-20-15-11-6-4-2-1-3-5-10-14-19(20)17-16-18-12-8-7-9-13-18/h7-9,12-14,16-17H,1-6,10-11,15H2/b17-16+,19-14?
InChIKeyXKBQXNXBCSHQNW-NNQCEPAUSA-N
MW282.43 g/mol
LogP5.72
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one

2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one (PubChem CID 134950762) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one
PubChem CID134950762
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one
SMILESO=C1CCCCCCCCCC=C1/C=C/c1ccccc1
InChIInChI=1S/C20H26O/c21-20-15-11-6-4-2-1-3-5-10-14-19(20)17-16-18-12-8-7-9-13-18/h7-9,12-14,16-17H,1-6,10-11,15H2/b17-16+,19-14?
InChIKeyXKBQXNXBCSHQNW-NNQCEPAUSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one (CID 134950762) is 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one is O=C1CCCCCCCCCC=C1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one?
The InChIKey is XKBQXNXBCSHQNW-NNQCEPAUSA-N. The full InChI is InChI=1S/C20H26O/c21-20-15-11-6-4-2-1-3-5-10-14-19(20)17-16-18-12-8-7-9-13-18/h7-9,12-14,16-17H,1-6,10-11,15H2/b17-16+,19-14?.
What are the key properties of 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one?
2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one has a molecular weight of 282.43 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one is sourced from PubChem (CID 134950762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).