2-but-1-enyloxane

C9H16O — CID 54120972

IUPAC2-but-1-enyloxane
SMILESCCC=CC1CCCCO1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyNNRCOYIKFWGCHE-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 2-but-1-enyloxane

2-but-1-enyloxane (PubChem CID 54120972) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-but-1-enyloxane.

Molecular Properties

Compound Name2-but-1-enyloxane
PubChem CID54120972
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-but-1-enyloxane
SMILESCCC=CC1CCCCO1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyNNRCOYIKFWGCHE-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-pent-1-enyl]oxolane
CID 11083976
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
(E)-4-(oxolan-2-yl)but-3-en-1-amine
CID 82838045
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
2-[(E)-prop-1-enyl]oxolane
CID 12508233
2-buta-1,3-dienyloxane
CID 150390930
triethyl-[(E)-2-(oxolan-2-yl)ethenyl]silane
CID 56850320
(Z)-4-(oxolan-2-yl)but-3-enoic acid
CID 117267585
[(E)-but-1-enyl]cyclodecane
CID 173272598
(2R)-oxane-2-carbaldehyde
CID 12648700
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyloxane?
The IUPAC name of 2-but-1-enyloxane (CID 54120972) is 2-but-1-enyloxane.
What is the SMILES notation for 2-but-1-enyloxane?
The canonical SMILES for 2-but-1-enyloxane is CCC=CC1CCCCO1.
What is the InChIKey of 2-but-1-enyloxane?
The InChIKey is NNRCOYIKFWGCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of 2-but-1-enyloxane?
2-but-1-enyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyloxane is sourced from PubChem (CID 54120972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).