ethane;(5E)-3-ethenylhepta-1,3,5-triene

C11H18 — CID 143978470

IUPACethane;(5E)-3-ethenylhepta-1,3,5-triene
SMILESC=CC(C=C)=C/C=C/C.CC
InChIInChI=1S/C9H12.C2H6/c1-4-7-8-9(5-2)6-3;1-2/h4-8H,2-3H2,1H3;1-2H3/b7-4+;
InChIKeyOSDCEMRTSGAHEN-KQGICBIGSA-N
MW150.26 g/mol
LogP3.89
Rot. Bonds3

About ethane;(5E)-3-ethenylhepta-1,3,5-triene

ethane;(5E)-3-ethenylhepta-1,3,5-triene (PubChem CID 143978470) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is ethane;(5E)-3-ethenylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(5E)-3-ethenylhepta-1,3,5-triene
PubChem CID143978470
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nameethane;(5E)-3-ethenylhepta-1,3,5-triene
SMILESC=CC(C=C)=C/C=C/C.CC
InChIInChI=1S/C9H12.C2H6/c1-4-7-8-9(5-2)6-3;1-2/h4-8H,2-3H2,1H3;1-2H3/b7-4+;
InChIKeyOSDCEMRTSGAHEN-KQGICBIGSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
CID 143926212
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486
ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine
CID 142960447
3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 144604694
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-3-ethenylhepta-1,3,5-triene?
The IUPAC name of ethane;(5E)-3-ethenylhepta-1,3,5-triene (CID 143978470) is ethane;(5E)-3-ethenylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(5E)-3-ethenylhepta-1,3,5-triene?
The canonical SMILES for ethane;(5E)-3-ethenylhepta-1,3,5-triene is C=CC(C=C)=C/C=C/C.CC.
What is the InChIKey of ethane;(5E)-3-ethenylhepta-1,3,5-triene?
The InChIKey is OSDCEMRTSGAHEN-KQGICBIGSA-N. The full InChI is InChI=1S/C9H12.C2H6/c1-4-7-8-9(5-2)6-3;1-2/h4-8H,2-3H2,1H3;1-2H3/b7-4+;.
What are the key properties of ethane;(5E)-3-ethenylhepta-1,3,5-triene?
ethane;(5E)-3-ethenylhepta-1,3,5-triene has a molecular weight of 150.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-3-ethenylhepta-1,3,5-triene is sourced from PubChem (CID 143978470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).