2-methylpenta-1,4-diene

C6H10 — CID 12987

IUPAC2-methylpenta-1,4-diene
SMILESC=CCC(=C)C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3
InChIKeyDRWYRROCDFQZQF-UHFFFAOYSA-N
MW82.15 g/mol
LogP2.14
Rot. Bonds2

About 2-methylpenta-1,4-diene

2-methylpenta-1,4-diene (PubChem CID 12987) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is 2-methylpenta-1,4-diene.

Molecular Properties

Compound Name2-methylpenta-1,4-diene
PubChem CID12987
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name2-methylpenta-1,4-diene
SMILESC=CCC(=C)C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3
InChIKeyDRWYRROCDFQZQF-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Isoprene
CID 6557
1-Pentene
CID 8004
1-Hexene
CID 11597
1-Butene
CID 7844
3-Methyl-1-butene
CID 11239
2-Methyl-1-butene
CID 11240
2-Methyl-1-pentene
CID 12986
1,5-Hexadiene
CID 11598
4-Methyl-1-pentene
CID 12724
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
1,4-Pentadiene, 2,3-dimethyl-
CID 136572
1,4-Pentadiene, 3-methyl-
CID 66195

Frequently Asked Questions

What is the IUPAC name of 2-methylpenta-1,4-diene?
The IUPAC name of 2-methylpenta-1,4-diene (CID 12987) is 2-methylpenta-1,4-diene.
What is the SMILES notation for 2-methylpenta-1,4-diene?
The canonical SMILES for 2-methylpenta-1,4-diene is C=CCC(=C)C.
What is the InChIKey of 2-methylpenta-1,4-diene?
The InChIKey is DRWYRROCDFQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3.
What are the key properties of 2-methylpenta-1,4-diene?
2-methylpenta-1,4-diene has a molecular weight of 82.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpenta-1,4-diene is sourced from PubChem (CID 12987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).