2-[(E)-3-bromoprop-1-enyl]oxolane

C7H11BrO — CID 82840033

IUPAC2-[(E)-3-bromoprop-1-enyl]oxolane
SMILESBrC/C=C/C1CCCO1
InChIInChI=1S/C7H11BrO/c8-5-1-3-7-4-2-6-9-7/h1,3,7H,2,4-6H2/b3-1+
InChIKeyDFLHNKLNXILPCQ-HNQUOIGGSA-N
MW191.07 g/mol
LogP2.12
Rot. Bonds2

About 2-[(E)-3-bromoprop-1-enyl]oxolane

2-[(E)-3-bromoprop-1-enyl]oxolane (PubChem CID 82840033) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-[(E)-3-bromoprop-1-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-3-bromoprop-1-enyl]oxolane
PubChem CID82840033
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name2-[(E)-3-bromoprop-1-enyl]oxolane
SMILESBrC/C=C/C1CCCO1
InChIInChI=1S/C7H11BrO/c8-5-1-3-7-4-2-6-9-7/h1,3,7H,2,4-6H2/b3-1+
InChIKeyDFLHNKLNXILPCQ-HNQUOIGGSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(oxolan-2-yl)but-3-en-1-amine
CID 82838045
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
2-but-1-enyloxane
CID 54120972
(Z)-4-(oxolan-2-yl)but-3-enoic acid
CID 117267585
2-[(E)-prop-1-enyl]oxolane
CID 12508233
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
triethyl-[(E)-2-(oxolan-2-yl)ethenyl]silane
CID 56850320
(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82837943
ethane;oxolane-2-carbaldehyde
CID 142055620
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776
2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane
CID 102498102

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-bromoprop-1-enyl]oxolane?
The IUPAC name of 2-[(E)-3-bromoprop-1-enyl]oxolane (CID 82840033) is 2-[(E)-3-bromoprop-1-enyl]oxolane.
What is the SMILES notation for 2-[(E)-3-bromoprop-1-enyl]oxolane?
The canonical SMILES for 2-[(E)-3-bromoprop-1-enyl]oxolane is BrC/C=C/C1CCCO1.
What is the InChIKey of 2-[(E)-3-bromoprop-1-enyl]oxolane?
The InChIKey is DFLHNKLNXILPCQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H11BrO/c8-5-1-3-7-4-2-6-9-7/h1,3,7H,2,4-6H2/b3-1+.
What are the key properties of 2-[(E)-3-bromoprop-1-enyl]oxolane?
2-[(E)-3-bromoprop-1-enyl]oxolane has a molecular weight of 191.07 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-bromoprop-1-enyl]oxolane is sourced from PubChem (CID 82840033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).