(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene

C11H14 — CID 142110830

IUPAC(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
SMILESC=CC(C=C)=C(C=C)/C=C/C
InChIInChI=1S/C11H14/c1-5-9-11(8-4)10(6-2)7-3/h5-9H,2-4H2,1H3/b9-5+
InChIKeyWPLQQYQTSWHQPE-WEVVVXLNSA-N
MW146.23 g/mol
LogP3.42
Rot. Bonds4

About (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene

(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene (PubChem CID 142110830) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
PubChem CID142110830
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
SMILESC=CC(C=C)=C(C=C)/C=C/C
InChIInChI=1S/C11H14/c1-5-9-11(8-4)10(6-2)7-3/h5-9H,2-4H2,1H3/b9-5+
InChIKeyWPLQQYQTSWHQPE-WEVVVXLNSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.42
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,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
but-2-ene;bis(prop-1-ene)
CID 157334183
prop-1-ene
CID 162178440
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668

Frequently Asked Questions

What is the IUPAC name of (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene?
The IUPAC name of (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene (CID 142110830) is (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene.
What is the SMILES notation for (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene?
The canonical SMILES for (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene is C=CC(C=C)=C(C=C)/C=C/C.
What is the InChIKey of (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene?
The InChIKey is WPLQQYQTSWHQPE-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H14/c1-5-9-11(8-4)10(6-2)7-3/h5-9H,2-4H2,1H3/b9-5+.
What are the key properties of (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene?
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene has a molecular weight of 146.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,4-bis(ethenyl)hepta-1,3,5-triene is sourced from PubChem (CID 142110830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).