3-methylhepta-1,3,4,6-tetraene

C8H10 — CID 156766349

IUPAC3-methylhepta-1,3,4,6-tetraene
SMILESC=CC=C=C(C)C=C
InChIInChI=1S/C8H10/c1-4-6-7-8(3)5-2/h4-6H,1-2H2,3H3
InChIKeyBTPBXEBAHUAJQH-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.46
Rot. Bonds2

About 3-methylhepta-1,3,4,6-tetraene

3-methylhepta-1,3,4,6-tetraene (PubChem CID 156766349) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 3-methylhepta-1,3,4,6-tetraene.

Molecular Properties

Compound Name3-methylhepta-1,3,4,6-tetraene
PubChem CID156766349
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name3-methylhepta-1,3,4,6-tetraene
SMILESC=CC=C=C(C)C=C
InChIInChI=1S/C8H10/c1-4-6-7-8(3)5-2/h4-6H,1-2H2,3H3
InChIKeyBTPBXEBAHUAJQH-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.46
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

5-chlorohexa-1,3,4-triene
CID 123521663
3-methylocta-1,3,4-triene
CID 176714902
3-methylpenta-1,2,4-trienylcyclopropane
CID 123326303
dimethyl(2-methylbuta-1,3-dienylidene)azanium
CID 134867484
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
2-bromo-3-fluorohepta-1,3,4,6-tetraene
CID 145477089
(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene
CID 162524809
2-methylbuta-1,3-diene;penta-1,2,4-triene;styrene
CID 174829799
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine
CID 12789626
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
(3E)-3-methylhexa-1,3,5-triene
CID 5367380

Frequently Asked Questions

What is the IUPAC name of 3-methylhepta-1,3,4,6-tetraene?
The IUPAC name of 3-methylhepta-1,3,4,6-tetraene (CID 156766349) is 3-methylhepta-1,3,4,6-tetraene.
What is the SMILES notation for 3-methylhepta-1,3,4,6-tetraene?
The canonical SMILES for 3-methylhepta-1,3,4,6-tetraene is C=CC=C=C(C)C=C.
What is the InChIKey of 3-methylhepta-1,3,4,6-tetraene?
The InChIKey is BTPBXEBAHUAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-4-6-7-8(3)5-2/h4-6H,1-2H2,3H3.
What are the key properties of 3-methylhepta-1,3,4,6-tetraene?
3-methylhepta-1,3,4,6-tetraene has a molecular weight of 106.17 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhepta-1,3,4,6-tetraene is sourced from PubChem (CID 156766349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).