2-[(E)-prop-1-enyl]oxolane

C7H12O — CID 12508233

IUPAC2-[(E)-prop-1-enyl]oxolane
SMILESC/C=C/C1CCCO1
InChIInChI=1S/C7H12O/c1-2-4-7-5-3-6-8-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyPRSWGPVREYKEKE-DUXPYHPUSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds1

About 2-[(E)-prop-1-enyl]oxolane

2-[(E)-prop-1-enyl]oxolane (PubChem CID 12508233) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]oxolane
PubChem CID12508233
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-[(E)-prop-1-enyl]oxolane
SMILESC/C=C/C1CCCO1
InChIInChI=1S/C7H12O/c1-2-4-7-5-3-6-8-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyPRSWGPVREYKEKE-DUXPYHPUSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
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
triethyl-[(E)-2-(oxolan-2-yl)ethenyl]silane
CID 56850320
ethane;oxolane-2-carbaldehyde
CID 142055620
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
2-but-1-enyloxane
CID 54120972
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776
2-(2-methylprop-1-enyl)oxolane
CID 12735917
(E)-4-(oxolan-2-yl)but-3-en-1-amine
CID 82838045
CID 101368257
CID 101368257
2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
CID 126845598
3-prop-1-enyloxasilinane
CID 175366148

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]oxolane?
The IUPAC name of 2-[(E)-prop-1-enyl]oxolane (CID 12508233) is 2-[(E)-prop-1-enyl]oxolane.
What is the SMILES notation for 2-[(E)-prop-1-enyl]oxolane?
The canonical SMILES for 2-[(E)-prop-1-enyl]oxolane is C/C=C/C1CCCO1.
What is the InChIKey of 2-[(E)-prop-1-enyl]oxolane?
The InChIKey is PRSWGPVREYKEKE-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12O/c1-2-4-7-5-3-6-8-7/h2,4,7H,3,5-6H2,1H3/b4-2+.
What are the key properties of 2-[(E)-prop-1-enyl]oxolane?
2-[(E)-prop-1-enyl]oxolane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]oxolane is sourced from PubChem (CID 12508233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).