4-chloro-3-methoxyoxane

C6H11ClO2 — CID 130632423

IUPAC4-chloro-3-methoxyoxane
SMILESCOC1COCCC1Cl
InChIInChI=1S/C6H11ClO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4H2,1H3
InChIKeySESMLCBRBCYGCU-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.03
Rot. Bonds1

About 4-chloro-3-methoxyoxane

4-chloro-3-methoxyoxane (PubChem CID 130632423) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 4-chloro-3-methoxyoxane.

Molecular Properties

Compound Name4-chloro-3-methoxyoxane
PubChem CID130632423
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name4-chloro-3-methoxyoxane
SMILESCOC1COCCC1Cl
InChIInChI=1S/C6H11ClO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4H2,1H3
InChIKeySESMLCBRBCYGCU-UHFFFAOYSA-N
XLogP1.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methoxy-4-methyloxane
CID 143656491
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
CID 170573296
CID 170573296
3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
CID 131101922
(3R,5R)-3,4,5-trimethoxyoxane
CID 6428184
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292
N-[(3R)-4-methoxyoxan-3-yl]methanimine
CID 158130238
1-(3-methoxyoxan-4-yl)propan-1-ol
CID 130723846
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
(3R)-3-methoxy-4-methyloxolane
CID 147902074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxyoxane?
The IUPAC name of 4-chloro-3-methoxyoxane (CID 130632423) is 4-chloro-3-methoxyoxane.
What is the SMILES notation for 4-chloro-3-methoxyoxane?
The canonical SMILES for 4-chloro-3-methoxyoxane is COC1COCCC1Cl.
What is the InChIKey of 4-chloro-3-methoxyoxane?
The InChIKey is SESMLCBRBCYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4H2,1H3.
What are the key properties of 4-chloro-3-methoxyoxane?
4-chloro-3-methoxyoxane has a molecular weight of 150.60 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxyoxane is sourced from PubChem (CID 130632423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).