3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene

C13H18 — CID 170590567

IUPAC3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
SMILESC=CC(C(=C)C)=C(C(=C)C)C(=C)C
InChIInChI=1S/C13H18/c1-8-12(9(2)3)13(10(4)5)11(6)7/h8H,1-2,4,6H2,3,5,7H3
InChIKeyDVQNHHUOBSBZLO-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds4

About 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene

3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene (PubChem CID 170590567) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene.

Molecular Properties

Compound Name3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
PubChem CID170590567
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
SMILESC=CC(C(=C)C)=C(C(=C)C)C(=C)C
InChIInChI=1S/C13H18/c1-8-12(9(2)3)13(10(4)5)11(6)7/h8H,1-2,4,6H2,3,5,7H3
InChIKeyDVQNHHUOBSBZLO-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.20
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

ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
N-[(1Z)-2-ethenyl-3-methyl-1-nitrobuta-1,3-dienyl]methanimine
CID 164858355
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(3E,5E)-4,6-dimethyl-3-prop-1-en-2-ylocta-3,5,7-trien-2-one
CID 143377880
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 143289392
but-3-en-2-one;methane;3-methylbut-3-en-2-one
CID 159829669
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene?
The IUPAC name of 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene (CID 170590567) is 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene.
What is the SMILES notation for 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene?
The canonical SMILES for 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene is C=CC(C(=C)C)=C(C(=C)C)C(=C)C.
What is the InChIKey of 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene?
The InChIKey is DVQNHHUOBSBZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-8-12(9(2)3)13(10(4)5)11(6)7/h8H,1-2,4,6H2,3,5,7H3.
What are the key properties of 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene?
3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene is sourced from PubChem (CID 170590567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).