1-ethoxy-2,3,5,5-tetramethylhex-1-ene

C12H24O — CID 170842835

IUPAC1-ethoxy-2,3,5,5-tetramethylhex-1-ene
SMILESCCOC=C(C)C(C)CC(C)(C)C
InChIInChI=1S/C12H24O/c1-7-13-9-11(3)10(2)8-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyAEOGWHMZHPGSTG-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.00
Rot. Bonds4

About 1-ethoxy-2,3,5,5-tetramethylhex-1-ene

1-ethoxy-2,3,5,5-tetramethylhex-1-ene (PubChem CID 170842835) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-ethoxy-2,3,5,5-tetramethylhex-1-ene.

Molecular Properties

Compound Name1-ethoxy-2,3,5,5-tetramethylhex-1-ene
PubChem CID170842835
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-ethoxy-2,3,5,5-tetramethylhex-1-ene
SMILESCCOC=C(C)C(C)CC(C)(C)C
InChIInChI=1S/C12H24O/c1-7-13-9-11(3)10(2)8-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyAEOGWHMZHPGSTG-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3,5,5-tetramethylhex-1-ene?
The IUPAC name of 1-ethoxy-2,3,5,5-tetramethylhex-1-ene (CID 170842835) is 1-ethoxy-2,3,5,5-tetramethylhex-1-ene.
What is the SMILES notation for 1-ethoxy-2,3,5,5-tetramethylhex-1-ene?
The canonical SMILES for 1-ethoxy-2,3,5,5-tetramethylhex-1-ene is CCOC=C(C)C(C)CC(C)(C)C.
What is the InChIKey of 1-ethoxy-2,3,5,5-tetramethylhex-1-ene?
The InChIKey is AEOGWHMZHPGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-7-13-9-11(3)10(2)8-12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-ethoxy-2,3,5,5-tetramethylhex-1-ene?
1-ethoxy-2,3,5,5-tetramethylhex-1-ene has a molecular weight of 184.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3,5,5-tetramethylhex-1-ene is sourced from PubChem (CID 170842835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).