(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

(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene
CID 161251628
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
pent-3-ene-2,2-diamine
CID 154022958
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-N,N,2-trimethylpent-3-en-2-amine
CID 177230336
(Z)-N,N,2-trimethylpent-3-en-2-amine
CID 154549060
2,2-dimethylpent-3-enethial
CID 54417783
(E)-4,4-dimethyl-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 135188940
3,3-dimethylhex-4-en-2-ol
CID 85445269
(E)-3,3-dimethylhex-4-en-2-ol
CID 12835180
(Z)-2,2-dimethylpent-3-enenitrile
CID 154451145

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).