2-(3-methylpent-1-enoxymethyl)oxane

C12H22O2 — CID 150349362

IUPAC2-(3-methylpent-1-enoxymethyl)oxane
SMILESCCC(C)C=COCC1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-11(2)7-9-13-10-12-6-4-5-8-14-12/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyGTKDYKUPJJVMPW-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-methylpent-1-enoxymethyl)oxane

2-(3-methylpent-1-enoxymethyl)oxane (PubChem CID 150349362) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3-methylpent-1-enoxymethyl)oxane.

Molecular Properties

Compound Name2-(3-methylpent-1-enoxymethyl)oxane
PubChem CID150349362
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(3-methylpent-1-enoxymethyl)oxane
SMILESCCC(C)C=COCC1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-11(2)7-9-13-10-12-6-4-5-8-14-12/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyGTKDYKUPJJVMPW-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((2-ethoxyethoxy)methyl)-3,4-dihydro-2H-pyran
CID 15583444
2,2-dimethyl-4-[(E)-2-(methyloxy)ethenyl]tetrahydro-2H-pyran
CID 57699609
4-(2-Methoxyethenyl)-2,2-dimethyloxane
CID 67314163
2-(butoxymethyl)-3,4-dihydro-2H-pyran
CID 68045798
2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984
1,2-Bis(4-methylpent-1-enoxy)hexane
CID 78076527
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
2-Butoxy-1-(3-methylbut-1-enoxy)pentane
CID 151664480
3-Hex-1-enoxy-2,2-dimethyloxane
CID 154260075
(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
CID 158761039
Butane;2-(but-1-enoxymethyl)-3-methyloxane
CID 160281281
Butane;2-(3-methylpent-1-enoxymethyl)oxane
CID 161561768

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpent-1-enoxymethyl)oxane?
The IUPAC name of 2-(3-methylpent-1-enoxymethyl)oxane (CID 150349362) is 2-(3-methylpent-1-enoxymethyl)oxane.
What is the SMILES notation for 2-(3-methylpent-1-enoxymethyl)oxane?
The canonical SMILES for 2-(3-methylpent-1-enoxymethyl)oxane is CCC(C)C=COCC1CCCCO1.
What is the InChIKey of 2-(3-methylpent-1-enoxymethyl)oxane?
The InChIKey is GTKDYKUPJJVMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11(2)7-9-13-10-12-6-4-5-8-14-12/h7,9,11-12H,3-6,8,10H2,1-2H3.
What are the key properties of 2-(3-methylpent-1-enoxymethyl)oxane?
2-(3-methylpent-1-enoxymethyl)oxane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpent-1-enoxymethyl)oxane is sourced from PubChem (CID 150349362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).