(E)-4,4-dimethylpent-2-ene

C14H28 — CID 159305896

IUPAC(E)-4,4-dimethylpent-2-ene
SMILESC/C=C/C(C)(C)C.C/C=C/C(C)(C)C
InChIInChI=1S/2C7H14/c2*1-5-6-7(2,3)4/h2*5-6H,1-4H3/b2*6-5+
InChIKeyLBXKAEVXFMBZIL-HBVWGTQWSA-N
MW196.38 g/mol
LogP5.22
Rot. Bonds

About (E)-4,4-dimethylpent-2-ene

(E)-4,4-dimethylpent-2-ene (PubChem CID 159305896) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (E)-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-4,4-dimethylpent-2-ene
PubChem CID159305896
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(E)-4,4-dimethylpent-2-ene
SMILESC/C=C/C(C)(C)C.C/C=C/C(C)(C)C
InChIInChI=1S/2C7H14/c2*1-5-6-7(2,3)4/h2*5-6H,1-4H3/b2*6-5+
InChIKeyLBXKAEVXFMBZIL-HBVWGTQWSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.22
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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,4,4-Trimethyl-2-pentene
CID 7869
2,6-Dimethylocta-2,4,6-triene
CID 12658
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016
3,4,4-Trimethyl-2-pentene
CID 11738
(E)-4,4-Dimethylpent-2-ene
CID 5326158
1-Propene, tetramer
CID 22833307
7-Methyl-1,6-octadiene
CID 557579

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethylpent-2-ene?
The IUPAC name of (E)-4,4-dimethylpent-2-ene (CID 159305896) is (E)-4,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-4,4-dimethylpent-2-ene?
The canonical SMILES for (E)-4,4-dimethylpent-2-ene is C/C=C/C(C)(C)C.C/C=C/C(C)(C)C.
What is the InChIKey of (E)-4,4-dimethylpent-2-ene?
The InChIKey is LBXKAEVXFMBZIL-HBVWGTQWSA-N. The full InChI is InChI=1S/2C7H14/c2*1-5-6-7(2,3)4/h2*5-6H,1-4H3/b2*6-5+.
What are the key properties of (E)-4,4-dimethylpent-2-ene?
(E)-4,4-dimethylpent-2-ene has a molecular weight of 196.38 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethylpent-2-ene is sourced from PubChem (CID 159305896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).