acetylene;2-chloro-5-ethylfuran;2-methylpropane

C12H19ClO — CID 143076858

IUPACacetylene;2-chloro-5-ethylfuran;2-methylpropane
SMILESC#C.CC(C)C.CCc1ccc(Cl)o1
InChIInChI=1S/C6H7ClO.C4H10.C2H2/c1-2-5-3-4-6(7)8-5;1-4(2)3;1-2/h3-4H,2H2,1H3;4H,1-3H3;1-2H
InChIKeyXDCBARNGEDXWEG-UHFFFAOYSA-N
MW214.74 g/mol
LogP4.41
Rot. Bonds1

About acetylene;2-chloro-5-ethylfuran;2-methylpropane

acetylene;2-chloro-5-ethylfuran;2-methylpropane (PubChem CID 143076858) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is acetylene;2-chloro-5-ethylfuran;2-methylpropane.

Molecular Properties

Compound Nameacetylene;2-chloro-5-ethylfuran;2-methylpropane
PubChem CID143076858
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Nameacetylene;2-chloro-5-ethylfuran;2-methylpropane
SMILESC#C.CC(C)C.CCc1ccc(Cl)o1
InChIInChI=1S/C6H7ClO.C4H10.C2H2/c1-2-5-3-4-6(7)8-5;1-4(2)3;1-2/h3-4H,2H2,1H3;4H,1-3H3;1-2H
InChIKeyXDCBARNGEDXWEG-UHFFFAOYSA-N
XLogP4.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;2-chloro-5-ethylfuran;2-methylpropane?
The IUPAC name of acetylene;2-chloro-5-ethylfuran;2-methylpropane (CID 143076858) is acetylene;2-chloro-5-ethylfuran;2-methylpropane.
What is the SMILES notation for acetylene;2-chloro-5-ethylfuran;2-methylpropane?
The canonical SMILES for acetylene;2-chloro-5-ethylfuran;2-methylpropane is C#C.CC(C)C.CCc1ccc(Cl)o1.
What is the InChIKey of acetylene;2-chloro-5-ethylfuran;2-methylpropane?
The InChIKey is XDCBARNGEDXWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO.C4H10.C2H2/c1-2-5-3-4-6(7)8-5;1-4(2)3;1-2/h3-4H,2H2,1H3;4H,1-3H3;1-2H.
What are the key properties of acetylene;2-chloro-5-ethylfuran;2-methylpropane?
acetylene;2-chloro-5-ethylfuran;2-methylpropane has a molecular weight of 214.74 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-chloro-5-ethylfuran;2-methylpropane is sourced from PubChem (CID 143076858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).