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

C7H14 — CID 5326158

IUPAC(E)-4,4-dimethylpent-2-ene
SMILESC/C=C/C(C)(C)C
InChIInChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+
InChIKeyBIDIHFPLDRSAMB-AATRIKPKSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds

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

(E)-4,4-dimethylpent-2-ene (PubChem CID 5326158) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is (E)-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-4,4-dimethylpent-2-ene
PubChem CID5326158
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name(E)-4,4-dimethylpent-2-ene
SMILESC/C=C/C(C)(C)C
InChIInChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+
InChIKeyBIDIHFPLDRSAMB-AATRIKPKSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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 5326158) 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.
What is the InChIKey of (E)-4,4-dimethylpent-2-ene?
The InChIKey is BIDIHFPLDRSAMB-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+.
What are the key properties of (E)-4,4-dimethylpent-2-ene?
(E)-4,4-dimethylpent-2-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 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 5326158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).