2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane

C10H17ClO2 — CID 11138218

IUPAC2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane
SMILESC/C(=C\CCl)COC1CCCCO1
InChIInChI=1S/C10H17ClO2/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h5,10H,2-4,6-8H2,1H3/b9-5+
InChIKeyAQMIMKCSYXRNRW-WEVVVXLNSA-N
MW204.70 g/mol
LogP2.71
Rot. Bonds4

About 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane

2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane (PubChem CID 11138218) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane
PubChem CID11138218
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane
SMILESC/C(=C\CCl)COC1CCCCO1
InChIInChI=1S/C10H17ClO2/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h5,10H,2-4,6-8H2,1H3/b9-5+
InChIKeyAQMIMKCSYXRNRW-WEVVVXLNSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane?
The IUPAC name of 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane (CID 11138218) is 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane is C/C(=C\CCl)COC1CCCCO1.
What is the InChIKey of 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane?
The InChIKey is AQMIMKCSYXRNRW-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h5,10H,2-4,6-8H2,1H3/b9-5+.
What are the key properties of 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane?
2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane has a molecular weight of 204.70 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-chloro-2-methylbut-2-enoxy]oxane is sourced from PubChem (CID 11138218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).