2-[1-(chloromethyl)cyclobutyl]oxane

C10H17ClO — CID 165443357

IUPAC2-[1-(chloromethyl)cyclobutyl]oxane
SMILESClCC1(C2CCCCO2)CCC1
InChIInChI=1S/C10H17ClO/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h9H,1-8H2
InChIKeyKMMJUOUWRCGLPQ-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.96
Rot. Bonds2

About 2-[1-(chloromethyl)cyclobutyl]oxane

2-[1-(chloromethyl)cyclobutyl]oxane (PubChem CID 165443357) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 2-[1-(chloromethyl)cyclobutyl]oxane.

Molecular Properties

Compound Name2-[1-(chloromethyl)cyclobutyl]oxane
PubChem CID165443357
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name2-[1-(chloromethyl)cyclobutyl]oxane
SMILESClCC1(C2CCCCO2)CCC1
InChIInChI=1S/C10H17ClO/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h9H,1-8H2
InChIKeyKMMJUOUWRCGLPQ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.96
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-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
1-(oxan-2-yl)cyclopropan-1-ol
CID 54404305
2-(1,2,2-trimethylcyclooctyl)oxocane
CID 174920418
2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ylmethanamine
CID 126827532
(3aR,6aS)-3a-(bromomethyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 125455786
[4-(oxolan-2-yl)oxan-4-yl]methanamine
CID 165486804
2-(1,2-dimethylcyclopropyl)oxane
CID 57035000
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
2-methyl-1-(oxan-2-yl)cyclopropan-1-amine
CID 84650279
2-(chloromethyl)-2-cyclohexyloxane
CID 126987668
[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
CID 165475538
2-(1-methylcyclohexyl)oxolane
CID 23594551

Frequently Asked Questions

What is the IUPAC name of 2-[1-(chloromethyl)cyclobutyl]oxane?
The IUPAC name of 2-[1-(chloromethyl)cyclobutyl]oxane (CID 165443357) is 2-[1-(chloromethyl)cyclobutyl]oxane.
What is the SMILES notation for 2-[1-(chloromethyl)cyclobutyl]oxane?
The canonical SMILES for 2-[1-(chloromethyl)cyclobutyl]oxane is ClCC1(C2CCCCO2)CCC1.
What is the InChIKey of 2-[1-(chloromethyl)cyclobutyl]oxane?
The InChIKey is KMMJUOUWRCGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h9H,1-8H2.
What are the key properties of 2-[1-(chloromethyl)cyclobutyl]oxane?
2-[1-(chloromethyl)cyclobutyl]oxane has a molecular weight of 188.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(chloromethyl)cyclobutyl]oxane is sourced from PubChem (CID 165443357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).