2-(4-chlorobut-2-enoxymethyl)oxolane

C9H15ClO2 — CID 77051660

IUPAC2-(4-chlorobut-2-enoxymethyl)oxolane
SMILESClCC=CCOCC1CCCO1
InChIInChI=1S/C9H15ClO2/c10-5-1-2-6-11-8-9-4-3-7-12-9/h1-2,9H,3-8H2
InChIKeySOCWXDRGAJSLMC-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-chlorobut-2-enoxymethyl)oxolane

2-(4-chlorobut-2-enoxymethyl)oxolane (PubChem CID 77051660) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-(4-chlorobut-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name2-(4-chlorobut-2-enoxymethyl)oxolane
PubChem CID77051660
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name2-(4-chlorobut-2-enoxymethyl)oxolane
SMILESClCC=CCOCC1CCCO1
InChIInChI=1S/C9H15ClO2/c10-5-1-2-6-11-8-9-4-3-7-12-9/h1-2,9H,3-8H2
InChIKeySOCWXDRGAJSLMC-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.98
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 76940919
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
oxolan-2-ylmethyl hypochlorite
CID 22491519
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
(2R)-2-[[(2R)-oxolan-2-yl]methoxymethyl]azetidine
CID 86324289
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate
CID 124629023
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobut-2-enoxymethyl)oxolane?
The IUPAC name of 2-(4-chlorobut-2-enoxymethyl)oxolane (CID 77051660) is 2-(4-chlorobut-2-enoxymethyl)oxolane.
What is the SMILES notation for 2-(4-chlorobut-2-enoxymethyl)oxolane?
The canonical SMILES for 2-(4-chlorobut-2-enoxymethyl)oxolane is ClCC=CCOCC1CCCO1.
What is the InChIKey of 2-(4-chlorobut-2-enoxymethyl)oxolane?
The InChIKey is SOCWXDRGAJSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c10-5-1-2-6-11-8-9-4-3-7-12-9/h1-2,9H,3-8H2.
What are the key properties of 2-(4-chlorobut-2-enoxymethyl)oxolane?
2-(4-chlorobut-2-enoxymethyl)oxolane has a molecular weight of 190.67 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobut-2-enoxymethyl)oxolane is sourced from PubChem (CID 77051660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).