2-butoxy-4-methylideneoxolane

C9H16O2 — CID 86160912

IUPAC2-butoxy-4-methylideneoxolane
SMILESC=C1COC(OCCCC)C1
InChIInChI=1S/C9H16O2/c1-3-4-5-10-9-6-8(2)7-11-9/h9H,2-7H2,1H3
InChIKeyUVFLEIQLHOBQBY-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds4

About 2-butoxy-4-methylideneoxolane

2-butoxy-4-methylideneoxolane (PubChem CID 86160912) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-butoxy-4-methylideneoxolane.

Molecular Properties

Compound Name2-butoxy-4-methylideneoxolane
PubChem CID86160912
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-butoxy-4-methylideneoxolane
SMILESC=C1COC(OCCCC)C1
InChIInChI=1S/C9H16O2/c1-3-4-5-10-9-6-8(2)7-11-9/h9H,2-7H2,1H3
InChIKeyUVFLEIQLHOBQBY-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-4-propan-2-ylideneoxolane
CID 11137807
(4R)-4-nonoxyoxetan-2-one
CID 175477617
(4R)-2-butoxy-4-methyloxolane
CID 11789482
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104
(2S,4R)-2-butoxy-4-butyloxolane
CID 11264119
(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
CID 14667618
4-but-1-enyl-2-butoxyoxolane
CID 85238910
2,5-dibutoxymorpholine
CID 20511445
(4Z)-2-ethoxy-4-heptylideneoxolane
CID 14020269
2-butoxy-1,3-dioxane
CID 13152295

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-methylideneoxolane?
The IUPAC name of 2-butoxy-4-methylideneoxolane (CID 86160912) is 2-butoxy-4-methylideneoxolane.
What is the SMILES notation for 2-butoxy-4-methylideneoxolane?
The canonical SMILES for 2-butoxy-4-methylideneoxolane is C=C1COC(OCCCC)C1.
What is the InChIKey of 2-butoxy-4-methylideneoxolane?
The InChIKey is UVFLEIQLHOBQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-10-9-6-8(2)7-11-9/h9H,2-7H2,1H3.
What are the key properties of 2-butoxy-4-methylideneoxolane?
2-butoxy-4-methylideneoxolane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-methylideneoxolane is sourced from PubChem (CID 86160912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).