ethylbenzene;(3Z)-5-methylideneocta-1,3-diene

C17H24 — CID 142937087

IUPACethylbenzene;(3Z)-5-methylideneocta-1,3-diene
SMILESC=C/C=C\C(=C)CCC.CCc1ccccc1
InChIInChI=1S/C9H14.C8H10/c1-4-6-8-9(3)7-5-2;1-2-8-6-4-3-5-7-8/h4,6,8H,1,3,5,7H2,2H3;3-7H,2H2,1H3/b8-6-;
InChIKeyGOGZGXPWWWIGNP-PHZXCRFESA-N
MW228.38 g/mol
LogP5.33
Rot. Bonds5

About ethylbenzene;(3Z)-5-methylideneocta-1,3-diene

ethylbenzene;(3Z)-5-methylideneocta-1,3-diene (PubChem CID 142937087) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethylbenzene;(3Z)-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Nameethylbenzene;(3Z)-5-methylideneocta-1,3-diene
PubChem CID142937087
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethylbenzene;(3Z)-5-methylideneocta-1,3-diene
SMILESC=C/C=C\C(=C)CCC.CCc1ccccc1
InChIInChI=1S/C9H14.C8H10/c1-4-6-8-9(3)7-5-2;1-2-8-6-4-3-5-7-8/h4,6,8H,1,3,5,7H2,2H3;3-7H,2H2,1H3/b8-6-;
InChIKeyGOGZGXPWWWIGNP-PHZXCRFESA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;(3Z)-5-methylideneocta-1,3-diene?
The IUPAC name of ethylbenzene;(3Z)-5-methylideneocta-1,3-diene (CID 142937087) is ethylbenzene;(3Z)-5-methylideneocta-1,3-diene.
What is the SMILES notation for ethylbenzene;(3Z)-5-methylideneocta-1,3-diene?
The canonical SMILES for ethylbenzene;(3Z)-5-methylideneocta-1,3-diene is C=C/C=C\C(=C)CCC.CCc1ccccc1.
What is the InChIKey of ethylbenzene;(3Z)-5-methylideneocta-1,3-diene?
The InChIKey is GOGZGXPWWWIGNP-PHZXCRFESA-N. The full InChI is InChI=1S/C9H14.C8H10/c1-4-6-8-9(3)7-5-2;1-2-8-6-4-3-5-7-8/h4,6,8H,1,3,5,7H2,2H3;3-7H,2H2,1H3/b8-6-;.
What are the key properties of ethylbenzene;(3Z)-5-methylideneocta-1,3-diene?
ethylbenzene;(3Z)-5-methylideneocta-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;(3Z)-5-methylideneocta-1,3-diene is sourced from PubChem (CID 142937087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).