ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane

C17H26 — CID 177324817

IUPACethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
SMILESC.C=C/C=C(\C=C)C(C)c1ccccc1.CC
InChIInChI=1S/C14H16.C2H6.CH4/c1-4-9-13(5-2)12(3)14-10-7-6-8-11-14;1-2;/h4-12H,1-2H2,3H3;1-2H3;1H4/b13-9+;;
InChIKeyGKZQLGBPFKBMIT-IGUOPLJTSA-N
MW230.39 g/mol
LogP5.75
Rot. Bonds4

About ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane

ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane (PubChem CID 177324817) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane.

Molecular Properties

Compound Nameethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
PubChem CID177324817
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Nameethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
SMILESC.C=C/C=C(\C=C)C(C)c1ccccc1.CC
InChIInChI=1S/C14H16.C2H6.CH4/c1-4-9-13(5-2)12(3)14-10-7-6-8-11-14;1-2;/h4-12H,1-2H2,3H3;1-2H3;1H4/b13-9+;;
InChIKeyGKZQLGBPFKBMIT-IGUOPLJTSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.75
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 ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane?
The IUPAC name of ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane (CID 177324817) is ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane.
What is the SMILES notation for ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane?
The canonical SMILES for ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane is C.C=C/C=C(\C=C)C(C)c1ccccc1.CC.
What is the InChIKey of ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane?
The InChIKey is GKZQLGBPFKBMIT-IGUOPLJTSA-N. The full InChI is InChI=1S/C14H16.C2H6.CH4/c1-4-9-13(5-2)12(3)14-10-7-6-8-11-14;1-2;/h4-12H,1-2H2,3H3;1-2H3;1H4/b13-9+;;.
What are the key properties of ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane?
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane has a molecular weight of 230.39 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane is sourced from PubChem (CID 177324817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).