(E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene

C14H28 — CID 3036400

IUPAC(E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
SMILESCC/C(=C(/CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-9-11(13(3,4)5)12(10-2)14(6,7)8/h9-10H2,1-8H3/b12-11+
InChIKeyMVTUXXAVOOUGFH-VAWYXSNFSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds2

About (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene

(E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene (PubChem CID 3036400) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene.

Molecular Properties

Compound Name(E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
PubChem CID3036400
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
SMILESCC/C(=C(/CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-9-11(13(3,4)5)12(10-2)14(6,7)8/h9-10H2,1-8H3/b12-11+
InChIKeyMVTUXXAVOOUGFH-VAWYXSNFSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene?
The IUPAC name of (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene (CID 3036400) is (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene.
What is the SMILES notation for (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene?
The canonical SMILES for (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene is CC/C(=C(/CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene?
The InChIKey is MVTUXXAVOOUGFH-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H28/c1-9-11(13(3,4)5)12(10-2)14(6,7)8/h9-10H2,1-8H3/b12-11+.
What are the key properties of (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene?
(E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene is sourced from PubChem (CID 3036400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).