6-[(2-methylpropan-2-yl)oxy]hex-1-ene

C10H20O — CID 15107232

IUPAC6-[(2-methylpropan-2-yl)oxy]hex-1-ene
SMILESC=CCCCCOC(C)(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-8-9-11-10(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyVDSSVQQJIJHQFW-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds5

About 6-[(2-methylpropan-2-yl)oxy]hex-1-ene

6-[(2-methylpropan-2-yl)oxy]hex-1-ene (PubChem CID 15107232) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]hex-1-ene.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]hex-1-ene
PubChem CID15107232
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name6-[(2-methylpropan-2-yl)oxy]hex-1-ene
SMILESC=CCCCCOC(C)(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-8-9-11-10(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyVDSSVQQJIJHQFW-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]hex-1-ene?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]hex-1-ene (CID 15107232) is 6-[(2-methylpropan-2-yl)oxy]hex-1-ene.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]hex-1-ene?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]hex-1-ene is C=CCCCCOC(C)(C)C.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]hex-1-ene?
The InChIKey is VDSSVQQJIJHQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-7-8-9-11-10(2,3)4/h5H,1,6-9H2,2-4H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]hex-1-ene?
6-[(2-methylpropan-2-yl)oxy]hex-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]hex-1-ene is sourced from PubChem (CID 15107232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).