4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene

C14H18 — CID 123782366

IUPAC4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene
SMILESCC=C=C(C=CC)C(=C=CC)C=CC
InChIInChI=1S/C14H18/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h5-9,11H,1-4H3
InChIKeyZVSWWAQKOMBTME-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.34
Rot. Bonds3

About 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene

4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene (PubChem CID 123782366) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene.

Molecular Properties

Compound Name4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene
PubChem CID123782366
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene
SMILESCC=C=C(C=CC)C(=C=CC)C=CC
InChIInChI=1S/C14H18/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h5-9,11H,1-4H3
InChIKeyZVSWWAQKOMBTME-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.34
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

4-ethenyl-5-methylhepta-2,3,5-triene
CID 123352008
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
hepta-2,5-dien-4-one
CID 54179619
4-ethylhexa-2,3-diene
CID 57110962
1-N,1-N,1-N',1-N'-tetramethylbuta-1,2-diene-1,1-diamine
CID 175244405
azane;but-2-ene
CID 158027647
CID 161256128
CID 161256128
but-2-ene;hydrofluoride
CID 160556119
(Z)-but-2-ene;ethane
CID 90897883
bis(but-2-ene);hydrate
CID 129188484
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene?
The IUPAC name of 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene (CID 123782366) is 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene.
What is the SMILES notation for 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene?
The canonical SMILES for 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene is CC=C=C(C=CC)C(=C=CC)C=CC.
What is the InChIKey of 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene?
The InChIKey is ZVSWWAQKOMBTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h5-9,11H,1-4H3.
What are the key properties of 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene?
4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene has a molecular weight of 186.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene is sourced from PubChem (CID 123782366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).