4-methylpenta-1,2,3-triene

C6H8 — CID 14296732

IUPAC4-methylpenta-1,2,3-triene
SMILESC=C=C=C(C)C
InChIInChI=1S/C6H8/c1-4-5-6(2)3/h1H2,2-3H3
InChIKeyBCLPJYCPKQFYQZ-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.89
Rot. Bonds

About 4-methylpenta-1,2,3-triene

4-methylpenta-1,2,3-triene (PubChem CID 14296732) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 4-methylpenta-1,2,3-triene.

Molecular Properties

Compound Name4-methylpenta-1,2,3-triene
PubChem CID14296732
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name4-methylpenta-1,2,3-triene
SMILESC=C=C=C(C)C
InChIInChI=1S/C6H8/c1-4-5-6(2)3/h1H2,2-3H3
InChIKeyBCLPJYCPKQFYQZ-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,2,3-triene?
The IUPAC name of 4-methylpenta-1,2,3-triene (CID 14296732) is 4-methylpenta-1,2,3-triene.
What is the SMILES notation for 4-methylpenta-1,2,3-triene?
The canonical SMILES for 4-methylpenta-1,2,3-triene is C=C=C=C(C)C.
What is the InChIKey of 4-methylpenta-1,2,3-triene?
The InChIKey is BCLPJYCPKQFYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-4-5-6(2)3/h1H2,2-3H3.
What are the key properties of 4-methylpenta-1,2,3-triene?
4-methylpenta-1,2,3-triene has a molecular weight of 80.13 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,2,3-triene is sourced from PubChem (CID 14296732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).