(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene

C17H20 — CID 102473410

IUPAC(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene
SMILESC1=C\C(\C=C\c2ccccc2)=C/CCCCC/1
InChIInChI=1S/C17H20/c1-2-4-7-11-16(10-6-3-1)14-15-17-12-8-5-9-13-17/h5-6,8-15H,1-4,7H2/b10-6-,15-14+,16-11+
InChIKeyNYONLHVSZPQWOX-PCHVHXSUSA-N
MW224.35 g/mol
LogP5.15
Rot. Bonds2

About (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene

(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene (PubChem CID 102473410) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene
PubChem CID102473410
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene
SMILESC1=C\C(\C=C\c2ccccc2)=C/CCCCC/1
InChIInChI=1S/C17H20/c1-2-4-7-11-16(10-6-3-1)14-15-17-12-8-5-9-13-17/h5-6,8-15H,1-4,7H2/b10-6-,15-14+,16-11+
InChIKeyNYONLHVSZPQWOX-PCHVHXSUSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene
CID 143018171
2-[(E)-2-phenylethenyl]cyclododec-2-en-1-one
CID 134950762
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 67648697
4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
N-[4-(2-cyclohexa-1,5-dien-1-ylethenyl)phenyl]-2-methyl-N-phenylaniline;ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
CID 90777522
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene?
The IUPAC name of (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene (CID 102473410) is (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene.
What is the SMILES notation for (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene?
The canonical SMILES for (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene is C1=C\C(\C=C\c2ccccc2)=C/CCCCC/1.
What is the InChIKey of (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene?
The InChIKey is NYONLHVSZPQWOX-PCHVHXSUSA-N. The full InChI is InChI=1S/C17H20/c1-2-4-7-11-16(10-6-3-1)14-15-17-12-8-5-9-13-17/h5-6,8-15H,1-4,7H2/b10-6-,15-14+,16-11+.
What are the key properties of (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene?
(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene has a molecular weight of 224.35 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene is sourced from PubChem (CID 102473410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).