(Z)-1-chloro-4-(methoxymethoxy)but-2-ene

C6H11ClO2 — CID 15327011

IUPAC(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
SMILESCOCOC/C=C\CCl
InChIInChI=1S/C6H11ClO2/c1-8-6-9-5-3-2-4-7/h2-3H,4-6H2,1H3/b3-2-
InChIKeyGIYWLXBGLCIEKC-IHWYPQMZSA-N
MW150.60 g/mol
LogP1.40
Rot. Bonds5

About (Z)-1-chloro-4-(methoxymethoxy)but-2-ene

(Z)-1-chloro-4-(methoxymethoxy)but-2-ene (PubChem CID 15327011) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is (Z)-1-chloro-4-(methoxymethoxy)but-2-ene.

Molecular Properties

Compound Name(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
PubChem CID15327011
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
SMILESCOCOC/C=C\CCl
InChIInChI=1S/C6H11ClO2/c1-8-6-9-5-3-2-4-7/h2-3H,4-6H2,1H3/b3-2-
InChIKeyGIYWLXBGLCIEKC-IHWYPQMZSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-4-(methoxymethoxy)but-2-ene?
The IUPAC name of (Z)-1-chloro-4-(methoxymethoxy)but-2-ene (CID 15327011) is (Z)-1-chloro-4-(methoxymethoxy)but-2-ene.
What is the SMILES notation for (Z)-1-chloro-4-(methoxymethoxy)but-2-ene?
The canonical SMILES for (Z)-1-chloro-4-(methoxymethoxy)but-2-ene is COCOC/C=C\CCl.
What is the InChIKey of (Z)-1-chloro-4-(methoxymethoxy)but-2-ene?
The InChIKey is GIYWLXBGLCIEKC-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-8-6-9-5-3-2-4-7/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of (Z)-1-chloro-4-(methoxymethoxy)but-2-ene?
(Z)-1-chloro-4-(methoxymethoxy)but-2-ene has a molecular weight of 150.60 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-4-(methoxymethoxy)but-2-ene is sourced from PubChem (CID 15327011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).