2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane

C13H22O2 — CID 11790491

IUPAC2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
SMILESC=C/C=C(\C)C1COC(OCCCC)C1
InChIInChI=1S/C13H22O2/c1-4-6-8-14-13-9-12(10-15-13)11(3)7-5-2/h5,7,12-13H,2,4,6,8-10H2,1,3H3/b11-7+
InChIKeySHTVTGBJVXRTGY-YRNVUSSQSA-N
MW210.32 g/mol
LogP3.30
Rot. Bonds6

About 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane

2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane (PubChem CID 11790491) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane.

Molecular Properties

Compound Name2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
PubChem CID11790491
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
SMILESC=C/C=C(\C)C1COC(OCCCC)C1
InChIInChI=1S/C13H22O2/c1-4-6-8-14-13-9-12(10-15-13)11(3)7-5-2/h5,7,12-13H,2,4,6,8-10H2,1,3H3/b11-7+
InChIKeySHTVTGBJVXRTGY-YRNVUSSQSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 101388444
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(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104
(2S,4R)-2-butoxy-4-butyloxolane
CID 11264119
4-but-1-enyl-2-butoxyoxolane
CID 85238910
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
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CID 20511445
(3R,3aR,5R,6aR)-5-butoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 132527848
2-butoxy-4-propan-2-ylideneoxolane
CID 11137807
(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane
CID 135009088
2-butoxy-4-methylideneoxolane
CID 86160912
2-[9-nonyl-10-octyl-19-(oxiran-2-yloxy)nonadecoxy]oxirane
CID 178065273

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane?
The IUPAC name of 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane (CID 11790491) is 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane.
What is the SMILES notation for 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane?
The canonical SMILES for 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane is C=C/C=C(\C)C1COC(OCCCC)C1.
What is the InChIKey of 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane?
The InChIKey is SHTVTGBJVXRTGY-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-6-8-14-13-9-12(10-15-13)11(3)7-5-2/h5,7,12-13H,2,4,6,8-10H2,1,3H3/b11-7+.
What are the key properties of 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane?
2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane has a molecular weight of 210.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane is sourced from PubChem (CID 11790491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).