ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene

C22H38 — CID 142354588

IUPACethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene
SMILESC/C=C(\C=C/CC)CCC.C=C.CC.CCc1ccccc1
InChIInChI=1S/C10H18.C8H10.C2H6.C2H4/c1-4-7-9-10(6-3)8-5-2;1-2-8-6-4-3-5-7-8;2*1-2/h6-7,9H,4-5,8H2,1-3H3;3-7H,2H2,1H3;1-2H3;1-2H2/b9-7-,10-6-;;;
InChIKeyWOTGBYBDTHKJNZ-JNGRZJAPSA-N
MW302.55 g/mol
LogP7.78
Rot. Bonds5

About ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene

ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene (PubChem CID 142354588) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene.

Molecular Properties

Compound Nameethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene
PubChem CID142354588
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Nameethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene
SMILESC/C=C(\C=C/CC)CCC.C=C.CC.CCc1ccccc1
InChIInChI=1S/C10H18.C8H10.C2H6.C2H4/c1-4-7-9-10(6-3)8-5-2;1-2-8-6-4-3-5-7-8;2*1-2/h6-7,9H,4-5,8H2,1-3H3;3-7H,2H2,1H3;1-2H3;1-2H2/b9-7-,10-6-;;;
InChIKeyWOTGBYBDTHKJNZ-JNGRZJAPSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene?
The IUPAC name of ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene (CID 142354588) is ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene.
What is the SMILES notation for ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene?
The canonical SMILES for ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene is C/C=C(\C=C/CC)CCC.C=C.CC.CCc1ccccc1.
What is the InChIKey of ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene?
The InChIKey is WOTGBYBDTHKJNZ-JNGRZJAPSA-N. The full InChI is InChI=1S/C10H18.C8H10.C2H6.C2H4/c1-4-7-9-10(6-3)8-5-2;1-2-8-6-4-3-5-7-8;2*1-2/h6-7,9H,4-5,8H2,1-3H3;3-7H,2H2,1H3;1-2H3;1-2H2/b9-7-,10-6-;;;.
What are the key properties of ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene?
ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene has a molecular weight of 302.55 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene is sourced from PubChem (CID 142354588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).