(E)-2,2,4-trimethylhex-3-ene

C9H18 — CID 5365974

IUPAC(E)-2,2,4-trimethylhex-3-ene
SMILESCC/C(C)=C/C(C)(C)C
InChIInChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKeyDPFRBPJIKDMNCN-BQYQJAHWSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds1

About (E)-2,2,4-trimethylhex-3-ene

(E)-2,2,4-trimethylhex-3-ene (PubChem CID 5365974) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E)-2,2,4-trimethylhex-3-ene.

Molecular Properties

Compound Name(E)-2,2,4-trimethylhex-3-ene
PubChem CID5365974
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E)-2,2,4-trimethylhex-3-ene
SMILESCC/C(C)=C/C(C)(C)C
InChIInChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKeyDPFRBPJIKDMNCN-BQYQJAHWSA-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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Related Compounds

2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
(5E)-4,4,6-trimethylocta-1,5-diene
CID 173435548
(E)-4,6,6-trimethylhept-4-en-2-one
CID 12956011
4-chloro-2,2-dimethylhex-3-ene
CID 71390179
[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane
CID 173398272
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury
CID 134981739
(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
CID 177352522

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,4-trimethylhex-3-ene?
The IUPAC name of (E)-2,2,4-trimethylhex-3-ene (CID 5365974) is (E)-2,2,4-trimethylhex-3-ene.
What is the SMILES notation for (E)-2,2,4-trimethylhex-3-ene?
The canonical SMILES for (E)-2,2,4-trimethylhex-3-ene is CC/C(C)=C/C(C)(C)C.
What is the InChIKey of (E)-2,2,4-trimethylhex-3-ene?
The InChIKey is DPFRBPJIKDMNCN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/b8-7+.
What are the key properties of (E)-2,2,4-trimethylhex-3-ene?
(E)-2,2,4-trimethylhex-3-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)-2,2,4-trimethylhex-3-ene is sourced from PubChem (CID 5365974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).