3,4,4-trimethylpenta-1,2-diene

C8H14 — CID 11125711

IUPAC3,4,4-trimethylpenta-1,2-diene
SMILESC=C=C(C)C(C)(C)C
InChIInChI=1S/C8H14/c1-6-7(2)8(3,4)5/h1H2,2-5H3
InChIKeyMVXYMVXRICYNAH-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.76
Rot. Bonds

About 3,4,4-trimethylpenta-1,2-diene

3,4,4-trimethylpenta-1,2-diene (PubChem CID 11125711) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3,4,4-trimethylpenta-1,2-diene.

Molecular Properties

Compound Name3,4,4-trimethylpenta-1,2-diene
PubChem CID11125711
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3,4,4-trimethylpenta-1,2-diene
SMILESC=C=C(C)C(C)(C)C
InChIInChI=1S/C8H14/c1-6-7(2)8(3,4)5/h1H2,2-5H3
InChIKeyMVXYMVXRICYNAH-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethylpenta-1,2-diene?
The IUPAC name of 3,4,4-trimethylpenta-1,2-diene (CID 11125711) is 3,4,4-trimethylpenta-1,2-diene.
What is the SMILES notation for 3,4,4-trimethylpenta-1,2-diene?
The canonical SMILES for 3,4,4-trimethylpenta-1,2-diene is C=C=C(C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethylpenta-1,2-diene?
The InChIKey is MVXYMVXRICYNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6-7(2)8(3,4)5/h1H2,2-5H3.
What are the key properties of 3,4,4-trimethylpenta-1,2-diene?
3,4,4-trimethylpenta-1,2-diene has a molecular weight of 110.20 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethylpenta-1,2-diene is sourced from PubChem (CID 11125711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).