1-(chloromethyl)-3-methoxycyclobutane

C6H11ClO — CID 106824609

IUPAC1-(chloromethyl)-3-methoxycyclobutane
SMILESCOC1CC(CCl)C1
InChIInChI=1S/C6H11ClO/c1-8-6-2-5(3-6)4-7/h5-6H,2-4H2,1H3
InChIKeyZYCQIVXUNOBZEX-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.65
Rot. Bonds2

About 1-(chloromethyl)-3-methoxycyclobutane

1-(chloromethyl)-3-methoxycyclobutane (PubChem CID 106824609) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methoxycyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-3-methoxycyclobutane
PubChem CID106824609
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name1-(chloromethyl)-3-methoxycyclobutane
SMILESCOC1CC(CCl)C1
InChIInChI=1S/C6H11ClO/c1-8-6-2-5(3-6)4-7/h5-6H,2-4H2,1H3
InChIKeyZYCQIVXUNOBZEX-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.65
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
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100
2-(3-methoxycyclobutyl)ethanamine
CID 106824044
1-chloro-3-methoxycyclobutane
CID 66345507
(5-methoxypiperidin-3-yl)methanol
CID 166104648
N-[(3-methoxycyclobutyl)methyl]-2-methylpropan-2-amine
CID 106824564
1-(3-methoxycyclobutyl)-3-methylbutan-2-one
CID 159895021
1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine
CID 129199350
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
1-[6-(3-methoxycyclobutyl)hexyl]piperazine
CID 167217556
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methoxycyclobutane?
The IUPAC name of 1-(chloromethyl)-3-methoxycyclobutane (CID 106824609) is 1-(chloromethyl)-3-methoxycyclobutane.
What is the SMILES notation for 1-(chloromethyl)-3-methoxycyclobutane?
The canonical SMILES for 1-(chloromethyl)-3-methoxycyclobutane is COC1CC(CCl)C1.
What is the InChIKey of 1-(chloromethyl)-3-methoxycyclobutane?
The InChIKey is ZYCQIVXUNOBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-8-6-2-5(3-6)4-7/h5-6H,2-4H2,1H3.
What are the key properties of 1-(chloromethyl)-3-methoxycyclobutane?
1-(chloromethyl)-3-methoxycyclobutane has a molecular weight of 134.61 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methoxycyclobutane is sourced from PubChem (CID 106824609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).