2-butoxy-4-propan-2-ylideneoxolane

C11H20O2 — CID 11137807

IUPAC2-butoxy-4-propan-2-ylideneoxolane
SMILESCCCCOC1CC(=C(C)C)CO1
InChIInChI=1S/C11H20O2/c1-4-5-6-12-11-7-10(8-13-11)9(2)3/h11H,4-8H2,1-3H3
InChIKeyGYXONEDSUXSWLG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

About 2-butoxy-4-propan-2-ylideneoxolane

2-butoxy-4-propan-2-ylideneoxolane (PubChem CID 11137807) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-butoxy-4-propan-2-ylideneoxolane.

Molecular Properties

Compound Name2-butoxy-4-propan-2-ylideneoxolane
PubChem CID11137807
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-butoxy-4-propan-2-ylideneoxolane
SMILESCCCCOC1CC(=C(C)C)CO1
InChIInChI=1S/C11H20O2/c1-4-5-6-12-11-7-10(8-13-11)9(2)3/h11H,4-8H2,1-3H3
InChIKeyGYXONEDSUXSWLG-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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-methylideneoxolane
CID 86160912
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
4-but-1-enyl-2-butoxyoxolane
CID 85238910
(4R)-2-butoxy-4-methyloxolane
CID 11789482
(4R)-4-nonoxyoxetan-2-one
CID 175477617
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
(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
2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
CID 11790491
2,5-dibutoxymorpholine
CID 20511445
(3R,3aR,5R,6aR)-5-butoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 132527848

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-propan-2-ylideneoxolane?
The IUPAC name of 2-butoxy-4-propan-2-ylideneoxolane (CID 11137807) is 2-butoxy-4-propan-2-ylideneoxolane.
What is the SMILES notation for 2-butoxy-4-propan-2-ylideneoxolane?
The canonical SMILES for 2-butoxy-4-propan-2-ylideneoxolane is CCCCOC1CC(=C(C)C)CO1.
What is the InChIKey of 2-butoxy-4-propan-2-ylideneoxolane?
The InChIKey is GYXONEDSUXSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-12-11-7-10(8-13-11)9(2)3/h11H,4-8H2,1-3H3.
What are the key properties of 2-butoxy-4-propan-2-ylideneoxolane?
2-butoxy-4-propan-2-ylideneoxolane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-propan-2-ylideneoxolane is sourced from PubChem (CID 11137807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).