3-hex-1-enoxy-2,2-dimethyloxane

C13H24O2 — CID 154260075

IUPAC3-hex-1-enoxy-2,2-dimethyloxane
SMILESCCCCC=COC1CCCOC1(C)C
InChIInChI=1S/C13H24O2/c1-4-5-6-7-10-14-12-9-8-11-15-13(12,2)3/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyXJNQZIRNTRMFBP-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds5

About 3-hex-1-enoxy-2,2-dimethyloxane

3-hex-1-enoxy-2,2-dimethyloxane (PubChem CID 154260075) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-hex-1-enoxy-2,2-dimethyloxane.

Molecular Properties

Compound Name3-hex-1-enoxy-2,2-dimethyloxane
PubChem CID154260075
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-hex-1-enoxy-2,2-dimethyloxane
SMILESCCCCC=COC1CCCOC1(C)C
InChIInChI=1S/C13H24O2/c1-4-5-6-7-10-14-12-9-8-11-15-13(12,2)3/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyXJNQZIRNTRMFBP-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Bis(ethoxymethyl)-3,4-dihydropyran
CID 15583445
2,2-dimethyl-4-[(E)-2-(methyloxy)ethenyl]tetrahydro-2H-pyran
CID 57699609
4-(2-Methoxyethenyl)-2,2-dimethyloxane
CID 67314163
2-(3-Methylpent-1-enoxymethyl)oxane
CID 150349362
3-Methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol
CID 153365136
Butane;2-(but-1-enoxymethyl)-3-methyloxane
CID 160281281
Butane;2-(3-methylpent-1-enoxymethyl)oxane
CID 161561768
2-(Cyclopentylidenemethoxymethyl)-2-methyloxane
CID 176603452
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176605438
2-(Cyclohexylidenemethoxymethyl)-2-methyloxane
CID 176605439
(4aS,9aR)-4a-methyl-2,3,4,8,9,9a-hexahydropyrano[3,2-b]oxepine
CID 101407777
3-Methoxy-2,2-dimethyl-6-methylideneoxane
CID 153365137

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-enoxy-2,2-dimethyloxane?
The IUPAC name of 3-hex-1-enoxy-2,2-dimethyloxane (CID 154260075) is 3-hex-1-enoxy-2,2-dimethyloxane.
What is the SMILES notation for 3-hex-1-enoxy-2,2-dimethyloxane?
The canonical SMILES for 3-hex-1-enoxy-2,2-dimethyloxane is CCCCC=COC1CCCOC1(C)C.
What is the InChIKey of 3-hex-1-enoxy-2,2-dimethyloxane?
The InChIKey is XJNQZIRNTRMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-10-14-12-9-8-11-15-13(12,2)3/h7,10,12H,4-6,8-9,11H2,1-3H3.
What are the key properties of 3-hex-1-enoxy-2,2-dimethyloxane?
3-hex-1-enoxy-2,2-dimethyloxane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enoxy-2,2-dimethyloxane is sourced from PubChem (CID 154260075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).