1-chloro-3-methoxycyclobutane

C5H9ClO — CID 66345507

IUPAC1-chloro-3-methoxycyclobutane
SMILESCOC1CC(Cl)C1
InChIInChI=1S/C5H9ClO/c1-7-5-2-4(6)3-5/h4-5H,2-3H2,1H3
InChIKeyLWPLFXAZVNCZKB-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.40
Rot. Bonds1

About 1-chloro-3-methoxycyclobutane

1-chloro-3-methoxycyclobutane (PubChem CID 66345507) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 1-chloro-3-methoxycyclobutane.

Molecular Properties

Compound Name1-chloro-3-methoxycyclobutane
PubChem CID66345507
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name1-chloro-3-methoxycyclobutane
SMILESCOC1CC(Cl)C1
InChIInChI=1S/C5H9ClO/c1-7-5-2-4(6)3-5/h4-5H,2-3H2,1H3
InChIKeyLWPLFXAZVNCZKB-UHFFFAOYSA-N
XLogP1.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethoxycyclohexane
CID 547415
1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane
CID 66345792
1-(chloromethyl)-3-methoxycyclobutane
CID 106824609
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane
CID 126672500
(2S)-4-methoxy-2,6-dimethyloxane
CID 142449204
1,4-dimethoxy-2-methylcyclopentane
CID 170203002
1,2,4-trimethoxycyclohexane
CID 547386
4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
N,3-dimethoxycyclobutan-1-amine
CID 106821578
1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
CID 103408042

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxycyclobutane?
The IUPAC name of 1-chloro-3-methoxycyclobutane (CID 66345507) is 1-chloro-3-methoxycyclobutane.
What is the SMILES notation for 1-chloro-3-methoxycyclobutane?
The canonical SMILES for 1-chloro-3-methoxycyclobutane is COC1CC(Cl)C1.
What is the InChIKey of 1-chloro-3-methoxycyclobutane?
The InChIKey is LWPLFXAZVNCZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c1-7-5-2-4(6)3-5/h4-5H,2-3H2,1H3.
What are the key properties of 1-chloro-3-methoxycyclobutane?
1-chloro-3-methoxycyclobutane has a molecular weight of 120.58 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxycyclobutane is sourced from PubChem (CID 66345507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).