(Z)-3-ethyl-2,2,4-trimethylhex-3-ene

C11H22 — CID 142554814

IUPAC(Z)-3-ethyl-2,2,4-trimethylhex-3-ene
SMILESCC/C(C)=C(/CC)C(C)(C)C
InChIInChI=1S/C11H22/c1-7-9(3)10(8-2)11(4,5)6/h7-8H2,1-6H3/b10-9-
InChIKeyLRSRGIDFZLWFBB-KTKRTIGZSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds2

About (Z)-3-ethyl-2,2,4-trimethylhex-3-ene

(Z)-3-ethyl-2,2,4-trimethylhex-3-ene (PubChem CID 142554814) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (Z)-3-ethyl-2,2,4-trimethylhex-3-ene.

Molecular Properties

Compound Name(Z)-3-ethyl-2,2,4-trimethylhex-3-ene
PubChem CID142554814
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(Z)-3-ethyl-2,2,4-trimethylhex-3-ene
SMILESCC/C(C)=C(/CC)C(C)(C)C
InChIInChI=1S/C11H22/c1-7-9(3)10(8-2)11(4,5)6/h7-8H2,1-6H3/b10-9-
InChIKeyLRSRGIDFZLWFBB-KTKRTIGZSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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 (Z)-3-ethyl-2,2,4-trimethylhex-3-ene?
The IUPAC name of (Z)-3-ethyl-2,2,4-trimethylhex-3-ene (CID 142554814) is (Z)-3-ethyl-2,2,4-trimethylhex-3-ene.
What is the SMILES notation for (Z)-3-ethyl-2,2,4-trimethylhex-3-ene?
The canonical SMILES for (Z)-3-ethyl-2,2,4-trimethylhex-3-ene is CC/C(C)=C(/CC)C(C)(C)C.
What is the InChIKey of (Z)-3-ethyl-2,2,4-trimethylhex-3-ene?
The InChIKey is LRSRGIDFZLWFBB-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22/c1-7-9(3)10(8-2)11(4,5)6/h7-8H2,1-6H3/b10-9-.
What are the key properties of (Z)-3-ethyl-2,2,4-trimethylhex-3-ene?
(Z)-3-ethyl-2,2,4-trimethylhex-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-2,2,4-trimethylhex-3-ene is sourced from PubChem (CID 142554814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).