2-methylpenta-1,3-diene;penta-1,3-diene

C11H18 — CID 158114840

IUPAC2-methylpenta-1,3-diene;penta-1,3-diene
SMILESC=C(C)C=CC.C=CC=CC
InChIInChI=1S/C6H10.C5H8/c1-4-5-6(2)3;1-3-5-4-2/h4-5H,2H2,1,3H3;3-5H,1H2,2H3
InChIKeyFQWIWXYQAHSVKE-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.89
Rot. Bonds2

About 2-methylpenta-1,3-diene;penta-1,3-diene

2-methylpenta-1,3-diene;penta-1,3-diene (PubChem CID 158114840) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-methylpenta-1,3-diene;penta-1,3-diene.

Molecular Properties

Compound Name2-methylpenta-1,3-diene;penta-1,3-diene
PubChem CID158114840
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-methylpenta-1,3-diene;penta-1,3-diene
SMILESC=C(C)C=CC.C=CC=CC
InChIInChI=1S/C6H10.C5H8/c1-4-5-6(2)3;1-3-5-4-2/h4-5H,2H2,1,3H3;3-5H,1H2,2H3
InChIKeyFQWIWXYQAHSVKE-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.89
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

ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(3E)-penta-1,3-diene
CID 71777643
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
2-methylhepta-1,3,5-triene
CID 54571604
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
acetyl chloride;penta-1,3-diene
CID 175604931
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091

Frequently Asked Questions

What is the IUPAC name of 2-methylpenta-1,3-diene;penta-1,3-diene?
The IUPAC name of 2-methylpenta-1,3-diene;penta-1,3-diene (CID 158114840) is 2-methylpenta-1,3-diene;penta-1,3-diene.
What is the SMILES notation for 2-methylpenta-1,3-diene;penta-1,3-diene?
The canonical SMILES for 2-methylpenta-1,3-diene;penta-1,3-diene is C=C(C)C=CC.C=CC=CC.
What is the InChIKey of 2-methylpenta-1,3-diene;penta-1,3-diene?
The InChIKey is FQWIWXYQAHSVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H8/c1-4-5-6(2)3;1-3-5-4-2/h4-5H,2H2,1,3H3;3-5H,1H2,2H3.
What are the key properties of 2-methylpenta-1,3-diene;penta-1,3-diene?
2-methylpenta-1,3-diene;penta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpenta-1,3-diene;penta-1,3-diene is sourced from PubChem (CID 158114840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).