(E)-3-ethyl-4,4-dimethylpent-2-ene

C9H18 — CID 5369078

IUPAC(E)-3-ethyl-4,4-dimethylpent-2-ene
SMILESC/C=C(\CC)C(C)(C)C
InChIInChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+
InChIKeyMNQIWYOURGVWDV-SOFGYWHQSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds1

About (E)-3-ethyl-4,4-dimethylpent-2-ene

(E)-3-ethyl-4,4-dimethylpent-2-ene (PubChem CID 5369078) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E)-3-ethyl-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-3-ethyl-4,4-dimethylpent-2-ene
PubChem CID5369078
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E)-3-ethyl-4,4-dimethylpent-2-ene
SMILESC/C=C(\CC)C(C)(C)C
InChIInChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+
InChIKeyMNQIWYOURGVWDV-SOFGYWHQSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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)-3-ethyl-4,4-dimethylpent-2-ene?
The IUPAC name of (E)-3-ethyl-4,4-dimethylpent-2-ene (CID 5369078) is (E)-3-ethyl-4,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-3-ethyl-4,4-dimethylpent-2-ene?
The canonical SMILES for (E)-3-ethyl-4,4-dimethylpent-2-ene is C/C=C(\CC)C(C)(C)C.
What is the InChIKey of (E)-3-ethyl-4,4-dimethylpent-2-ene?
The InChIKey is MNQIWYOURGVWDV-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-3-ethyl-4,4-dimethylpent-2-ene?
(E)-3-ethyl-4,4-dimethylpent-2-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-4,4-dimethylpent-2-ene is sourced from PubChem (CID 5369078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).