2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene

C16H30O — CID 173423104

IUPAC2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene
SMILESCC(=CCC(C)(C)C)OC(C)=CCC(C)(C)C
InChIInChI=1S/C16H30O/c1-13(9-11-15(3,4)5)17-14(2)10-12-16(6,7)8/h9-10H,11-12H2,1-8H3
InChIKeyDBNZAGQWMPFOBS-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.68
Rot. Bonds4

About 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene

2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene (PubChem CID 173423104) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene.

Molecular Properties

Compound Name2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene
PubChem CID173423104
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene
SMILESCC(=CCC(C)(C)C)OC(C)=CCC(C)(C)C
InChIInChI=1S/C16H30O/c1-13(9-11-15(3,4)5)17-14(2)10-12-16(6,7)8/h9-10H,11-12H2,1-8H3
InChIKeyDBNZAGQWMPFOBS-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.68
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 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene?
The IUPAC name of 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene (CID 173423104) is 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene.
What is the SMILES notation for 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene?
The canonical SMILES for 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene is CC(=CCC(C)(C)C)OC(C)=CCC(C)(C)C.
What is the InChIKey of 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene?
The InChIKey is DBNZAGQWMPFOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-13(9-11-15(3,4)5)17-14(2)10-12-16(6,7)8/h9-10H,11-12H2,1-8H3.
What are the key properties of 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene?
2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene has a molecular weight of 238.41 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene is sourced from PubChem (CID 173423104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).